data_1vtx_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 1vtx _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.65 178.18 4.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.149 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.7 mtpm? -67.44 143.39 56.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.439 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.12 18.22 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 30' ' ' SER . 4.2 m-80 -98.84 124.87 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD1' ' CB ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -54.35 135.96 44.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.383 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' GLN . 51.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' MET . 5.8 m . . . . . 0 CA--C 1.522 -0.096 0 N-CA-C 109.814 -0.439 . . . . 1.0 109.814 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 18' ' ' MET . 26.2 m -97.58 102.13 13.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.44 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.7 p -37.41 147.87 0.22 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.64 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.1 Cg_endo -77.33 6.98 19.33 Favored 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.725 -1.781 . . . . 1.0 112.163 0.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 5.5 mtp -60.65 126.0 25.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.671 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -133.79 144.72 49.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 m -50.81 119.47 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 1.0 110.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 77.9 t -120.27 170.06 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.254 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 6.7 t80 -113.07 146.37 39.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.794 0.33 . . . . 1.0 110.342 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -98.81 -102.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.05 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -152.74 -83.26 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.63 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -81.58 5.72 17.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.283 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.63 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.1 m-20 -132.78 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.514 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.0 tt0 -51.59 -20.86 2.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.041 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' CB ' ' CD1' ' A' ' 7' ' ' TRP . 5.8 mm-40 -40.36 -33.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.287 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 63.3 169.91 1.35 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.563 -1.015 . . . . 1.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -148.58 152.68 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.134 0.492 . . . . 1.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 70.8 m -73.08 118.69 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.153 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -147.87 135.43 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.441 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 24.3 p -53.75 111.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.7 p -89.76 153.76 20.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.562 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.47 -42.43 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.082 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -62.65 -18.12 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.013 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 84.5 mt -62.03 -39.57 92.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.85 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -61.37 -21.63 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.588 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -125.48 39.43 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.852 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -34.45 112.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.749 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 9.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.445 -0.788 . . . . 1.0 110.321 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.115 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.53 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 1.0 109.962 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.4 mttp -68.87 146.32 52.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.448 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 76.25 11.77 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 30' ' ' SER . 3.4 m-80 -93.4 121.93 35.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.548 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 6.7 m0 -52.54 128.35 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 18' ' ' MET . 28.6 m -98.39 100.66 11.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.499 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.2 p -38.41 147.41 0.26 Allowed Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.7 Cg_endo -77.54 8.69 18.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.789 -1.755 . . . . 1.0 112.566 0.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 11.1 mtp -60.42 128.54 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' CG ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -136.53 148.86 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.209 179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.7 t -49.11 109.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 51.7 t -110.82 166.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 27' ' ' GLU . 16.5 t80 -102.15 159.66 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.042 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.05 -105.29 0.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.215 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.11 -79.58 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.901 -0.407 . . . . 1.0 109.901 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -86.8 15.29 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.338 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 28.0 m-20 -142.69 90.28 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.703 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . 5.3 tt0 -57.58 -22.93 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.758 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 18.6 pt20 -59.72 -15.02 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 1.0 110.57 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 44.39 -167.31 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -156.39 160.5 39.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.403 . . . . 1.0 110.519 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 71.5 m -70.03 120.85 16.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.079 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.46 ' HB2' HG22 ' A' ' 21' ' ' VAL . 44.3 mt-30 -147.85 133.85 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.463 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 22.0 p -64.44 113.78 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.468 HG22 ' CG ' ' A' ' 19' ' ' LYS . 5.1 p -96.86 159.29 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.544 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -34.71 67.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.878 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.6 p -63.39 -19.67 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.1 -16.69 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 77.2 mt -62.41 -37.53 86.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.759 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.595 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.12 -22.13 66.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.505 179.417 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -128.94 37.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.762 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.12 112.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.757 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 10.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 1.0 110.238 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 18' ' ' MET . . . . . . . . 0 C--O 1.232 0.142 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.52 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.0 OUTLIER -113.57 -172.83 2.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.054 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' N ' ' SD ' ' A' ' 18' ' ' MET . 32.8 mtmt -70.38 148.34 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.146 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.58 4.48 2.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.476 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.9 m-80 -89.37 176.77 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.682 -0.488 . . . . 1.0 109.682 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.583 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.1 m0 -91.26 149.83 21.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.669 0.271 . . . . 1.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.322 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.533 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 55.5 m -96.82 101.27 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 1.0 110.183 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -36.88 148.32 0.19 Allowed Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.951 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 33' ' ' SER . 47.4 Cg_endo -77.19 6.24 19.42 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 -1.814 . . . . 1.0 112.231 -0.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.533 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 50.4 mtm -54.93 121.25 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.543 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -120.85 138.51 54.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.474 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.32 105.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.123 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 78.5 t -104.91 166.54 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.628 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 1.5 t80 -104.59 130.34 52.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.178 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.99 -102.73 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.035 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.51 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.435 -0.579 . . . . 1.0 109.435 179.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.629 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.7 p90 -83.06 7.63 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.033 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.629 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.4 m-80 -132.87 81.62 1.95 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.221 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 56.3 tt0 -60.0 -14.1 14.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.202 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.583 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 3.1 pt20 -71.41 -2.23 15.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.687 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.13 -175.28 0.02 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -151.95 158.87 43.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.889 0.376 . . . . 1.0 110.584 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.2 m -79.45 116.52 19.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.773 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -147.42 125.41 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.542 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 17' ' ' PRO . 3.1 p -61.65 113.24 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 26.2 p -94.28 154.71 17.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.576 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.35 -34.38 64.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.184 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.529 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -64.1 -28.63 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 34' ' ' THR . . . -65.4 -13.67 59.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.096 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.0 mt -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.71 -21.03 66.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 8.1 ptmt -124.85 36.99 4.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.474 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.0 mmtt -33.53 114.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.985 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.491 -0.766 . . . . 1.0 110.355 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.861 0.362 . . . . 1.0 110.222 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.476 ' N ' ' HE3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.0 -171.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.015 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mttp -70.73 147.15 49.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.31 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.98 4.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.895 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-80 -89.96 161.02 16.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.572 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 5.1 m0 -90.76 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.195 -0.298 . . . . 1.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 36.0 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 1.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.956 0.407 . . . . 1.0 110.216 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 51.2 m -97.73 99.05 10.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.12 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -37.05 149.35 0.18 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.59 6.24 21.3 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.609 -1.829 . . . . 1.0 111.905 -0.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.519 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 38.5 mtm -54.71 118.73 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.629 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 135.76 54.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.899 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.31 118.98 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 1.0 110.23 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.495 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 t -108.3 156.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.142 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.92 125.93 49.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.967 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 -104.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.762 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -153.5 -74.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -82.07 5.03 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.923 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.546 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -128.16 77.98 1.8 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.309 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -14.51 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.572 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 7.1 pt20 -71.64 -1.72 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 43.06 -171.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -156.78 158.01 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.174 0.512 . . . . 1.0 111.236 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.6 m -73.97 112.48 10.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.328 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 21' ' ' VAL . 47.9 mt-30 -147.39 120.04 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -61.3 119.4 8.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.389 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -92.91 160.91 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.689 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.54 -43.85 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.198 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.428 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.8 p -63.08 -19.87 64.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.95 -15.78 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.242 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.56 -35.63 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.993 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -62.96 -18.78 63.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.791 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -127.61 38.95 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.818 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.28 102.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.799 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.7 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.506 -0.759 . . . . 1.0 110.46 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 175.76 5.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.3 mtmp? -65.33 145.07 56.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.91 0.386 . . . . 1.0 110.478 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.43 14.19 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.717 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.6 m-80 -96.38 118.03 32.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.47 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -43.35 143.62 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.45 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 46.4 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.377 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m . . . . . 0 CA--C 1.52 -0.174 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -95.05 98.01 10.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.328 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 4.4 p -37.21 148.34 0.2 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.644 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.5 Cg_endo -78.1 7.29 22.56 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 -1.802 . . . . 1.0 112.019 0.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.471 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 8.0 mtp -58.88 125.73 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 21.9 ttmt -132.28 143.33 49.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.156 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.99 102.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 1.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 4.9 t -104.44 173.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.337 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 16.6 t80 -105.87 156.71 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.045 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.43 -100.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.014 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -156.63 -76.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.924 -0.398 . . . . 1.0 109.924 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.556 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -88.95 19.12 4.3 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.207 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 48.4 m-20 -147.35 89.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 35.0 tt0 -58.87 -22.66 59.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 7' ' ' TRP . 1.4 pt20 -58.04 -16.32 12.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.57 -160.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -171.15 163.34 7.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 1.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -62.15 111.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.181 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.484 ' HB2' HG22 ' A' ' 21' ' ' VAL . 29.9 mt-30 -140.13 131.53 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.856 0.36 . . . . 1.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' HG21 ' A' ' 34' ' ' THR . 25.1 p -54.23 150.75 8.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.97 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 33' ' ' SER . 38.2 p -143.49 152.57 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.95 -32.71 55.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.011 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.513 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.8 p -63.85 -28.84 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.04 -14.68 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.136 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 35.6 mt -62.37 -34.47 76.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.01 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.38 -21.98 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.3 pttp -126.66 37.74 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.587 -0.733 . . . . 1.0 109.569 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.38 100.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.832 -179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.5 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.47 -0.776 . . . . 1.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.513 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.4 OUTLIER -104.69 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 46.8 mtmt -67.67 148.12 51.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.3 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.52 8.8 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.593 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.5 m-80 -93.41 119.38 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.462 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.505 ' CZ3' ' NE2' ' A' ' 28' ' ' GLN . 3.3 m0 -46.28 156.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.457 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.8 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.483 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 18' ' ' MET . 27.7 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HB2' ' HE3' ' A' ' 18' ' ' MET . 57.2 m -95.1 102.75 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 1.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.507 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -38.55 149.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.616 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.8 Cg_endo -76.41 4.14 18.49 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.458 -1.892 . . . . 1.0 111.83 -0.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.513 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -57.93 124.29 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.285 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -130.69 148.92 52.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.156 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 t -50.39 101.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.487 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 80.8 t -104.26 165.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.467 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 21.4 t80 -108.37 159.03 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.325 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.637 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -119.5 -106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.252 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.576 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -166.28 -65.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.576 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 14.0 p90 -76.26 1.01 17.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -149.74 94.33 2.16 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.6 tt0 -57.49 -23.24 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.96 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.505 ' NE2' ' CZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -62.53 -12.23 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 1.0 110.659 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 42.43 -167.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -156.89 165.3 36.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.0 m -69.31 119.95 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.197 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' HG22 ' A' ' 21' ' ' VAL . 61.4 mt-30 -144.16 136.71 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.619 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.08 112.32 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.42 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.0 p -89.86 150.92 22.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.34 -36.89 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.156 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.505 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.33 -29.58 70.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -63.46 -17.56 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.09 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 97.6 mt -60.92 -36.81 80.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.145 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.28 -26.62 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -122.41 37.99 4.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.619 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HE3' HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -38.6 120.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.722 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 7.9 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.472 -0.775 . . . . 1.0 110.584 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 110.032 -0.359 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.58 178.91 4.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.927 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -64.15 142.76 58.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.368 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.3 13.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.802 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -96.78 117.4 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.539 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.538 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.0 m0 -53.8 150.19 7.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.51 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.077 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.2 m . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 120.859 0.361 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 18' ' ' MET . 50.9 m -96.38 99.01 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.948 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.3 p -35.71 147.88 0.16 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.004 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -76.83 4.47 19.63 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.536 -1.86 . . . . 1.0 111.709 0.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -60.17 132.19 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.565 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.112 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -53.72 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.322 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 93.5 t -105.02 165.55 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 3.7 t80 -106.83 146.78 30.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.192 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -108.38 -111.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.076 -0.342 . . . . 1.0 110.076 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -150.69 -71.23 0.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -86.53 13.9 7.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.313 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 5.2 m-80 -141.91 80.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.106 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 38.3 tt0 -60.5 -16.77 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.737 0.303 . . . . 1.0 110.246 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -62.39 -12.45 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.261 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 48.5 178.61 0.01 OUTLIER Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -159.26 162.89 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 1.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.9 m -72.47 117.02 13.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -150.7 135.09 17.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.316 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 p -48.53 157.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 1.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 27.6 p -143.65 152.15 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 1.0 110.507 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.3 -39.75 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.3 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.53 -28.25 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 34' ' ' THR . . . -65.93 -15.45 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.016 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 88.3 mt -62.48 -35.8 80.49 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.855 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -63.23 -22.2 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.528 179.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -121.4 38.53 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.753 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.33 109.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.636 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.0 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.631 -0.699 . . . . 1.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.522 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.757 0.313 . . . . 1.0 110.268 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.459 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -107.77 -172.68 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.138 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 19.7 mttp -69.18 148.26 50.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.186 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.24 6.35 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.467 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 3.1 m-80 -89.78 174.98 7.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.186 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.608 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.4 m0 -95.26 149.29 21.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.387 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.0 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.466 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 CA--C 1.519 -0.224 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 57.6 m -95.59 101.74 13.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.948 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 7.9 p -37.18 149.32 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.816 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 47.6 Cg_endo -77.74 5.95 22.3 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.577 -1.843 . . . . 1.0 111.859 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.531 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 41.7 mtm -53.95 119.52 5.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.384 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -111.34 138.66 47.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.219 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.75 104.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.6 t -104.12 164.65 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.396 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 23.5 t80 -102.75 160.3 14.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.144 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.631 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -118.23 -99.93 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.132 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.65 -79.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -86.13 12.86 8.76 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 12.7 m-20 -136.52 85.48 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.971 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 33.0 tt0 -59.34 -23.31 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.462 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 9.2 pt20 -59.26 -15.1 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.84 -173.63 0.1 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -143.26 161.23 38.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 1.0 110.461 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.7 m -82.18 114.98 21.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.13 125.37 11.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.83 0.347 . . . . 1.0 110.536 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' HG21 ' A' ' 34' ' ' THR . 24.4 p -45.72 161.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.912 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.463 ' OG1' ' HB1' ' A' ' 37' ' ' ALA . 75.7 p -142.41 157.09 45.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 1.0 110.478 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -60.84 -41.57 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.463 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.5 p -64.35 -23.63 67.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB1' ' OG1' ' A' ' 34' ' ' THR . . . -63.57 -17.39 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.852 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.02 -39.11 91.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.911 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -59.43 -21.64 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.611 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -131.51 41.52 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.741 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.88 95.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.665 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.6 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.481 -0.771 . . . . 1.0 110.437 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.525 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.831 0.348 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 1.4 mptp? -105.62 -171.65 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.512 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.1 mtmm -74.77 155.25 37.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 73.84 5.04 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.802 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -91.74 117.29 29.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 1.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.594 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 10.7 m0 -43.37 148.44 0.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.358 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 62.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.241 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 120.802 0.334 . . . . 1.0 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 73.5 m -91.69 97.7 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.462 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' CYS . 1.6 p -34.19 146.93 0.13 Allowed Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.804 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 45.8 Cg_endo -81.01 11.25 29.59 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.816 -1.743 . . . . 1.0 112.074 0.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.529 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 29.6 mtm -54.03 120.06 5.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 20' ' ' CYS . 2.7 ttpt -124.3 144.35 50.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 43.8 t -59.55 115.98 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.096 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 50.2 t -113.06 161.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.503 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.9 t80 -108.22 139.85 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.13 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.42 -103.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.13 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.34 -75.31 0.08 Allowed 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 179.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.3 p90 -79.77 4.25 16.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.36 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m-20 -135.98 82.3 1.94 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.153 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 19.1 tt0 -59.3 -15.83 18.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.594 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.8 pt20 -62.74 -12.16 22.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.371 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 44.67 -175.43 0.01 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -158.4 163.93 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.465 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.9 m -76.2 126.43 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.977 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -150.58 126.4 10.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.164 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.32 100.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 109.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -89.81 158.84 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.736 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.15 -33.41 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.979 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.86 -28.55 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.75 -15.33 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.03 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -62.35 -35.19 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.983 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.45 -21.13 63.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.534 179.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.61 38.51 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.607 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.1 112.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.929 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.771 . . . . 1.0 110.343 179.782 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.437 ' O ' ' HE2' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.826 0.346 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -110.62 -172.68 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.847 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 25.7 mtmm -67.08 154.33 41.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.164 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.37 1.88 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.754 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -89.76 116.64 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 1.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.573 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 13.1 m0 -41.28 139.65 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 18.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 62.7 m -93.67 103.78 15.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.3 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.7 p -38.56 150.04 0.21 Allowed Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.81 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.9 Cg_endo -78.03 7.85 21.48 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.618 -1.826 . . . . 1.0 112.129 -0.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.527 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 50.9 mtm -55.68 124.3 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -126.81 143.61 51.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.17 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.4 104.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.1 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 22.6 t -104.82 162.61 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 5.2 t80 -103.22 151.22 22.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.049 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.7 -106.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.153 -0.314 . . . . 1.0 110.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.81 -69.17 0.09 Allowed 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -86.33 14.12 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 12.6 m-20 -148.13 91.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 36.5 tt0 -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.213 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 16.7 pt20 -61.07 -14.12 21.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.311 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.66 -167.1 0.05 OUTLIER Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.077 -0.809 . . . . 1.0 111.077 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -153.63 163.84 39.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.897 0.379 . . . . 1.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 62.9 m -73.66 120.99 20.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' HB2' HG22 ' A' ' 21' ' ' VAL . 71.6 mt-30 -147.92 127.71 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' HG21 ' A' ' 34' ' ' THR . 21.9 p -58.61 163.51 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.055 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 33' ' ' SER . 33.0 p -144.56 155.72 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.602 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.4 -41.15 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.244 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.52 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.9 p -64.07 -20.27 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . . . -67.18 -14.07 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.165 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 80.2 mt -62.88 -32.53 73.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.821 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -63.22 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.614 179.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 14.8 pttp -126.63 38.31 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.572 -0.74 . . . . 1.0 109.68 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -37.16 114.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.723 -179.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.488 -0.767 . . . . 1.0 110.415 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 7.4 mtmt -104.5 171.61 7.24 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -64.99 151.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.258 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.16 5.32 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.846 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.7 m-80 -89.38 118.1 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 4.8 m0 -50.25 152.43 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.612 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.347 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 18' ' ' MET . 35.4 m -96.72 101.84 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.901 0.381 . . . . 1.0 110.782 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -39.71 148.41 0.3 Allowed Pre-proline 0 N--CA 1.462 0.13 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.568 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.1 Cg_endo -77.24 8.78 17.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 -1.788 . . . . 1.0 112.469 0.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.495 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 5.7 mtp -62.12 131.53 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 1.0 110.279 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.86 156.54 44.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.3 t -53.7 105.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 22' ' ' TYR . 90.3 t -105.83 165.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.595 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 1.9 t80 -114.47 135.54 54.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.376 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.52 -105.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.102 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.59 -73.45 0.11 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.494 -0.558 . . . . 1.0 109.494 179.465 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.4 p90 -84.52 9.24 14.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.032 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.9 m-80 -136.15 84.32 2.07 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.586 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.4 tt0 -59.34 -22.0 60.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.599 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.6 pt20 -59.08 -22.0 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 51.05 -165.6 0.74 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -169.98 160.66 8.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 1.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 63.1 m -64.62 119.05 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.953 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 93.6 mt-30 -147.53 136.47 22.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.238 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -56.53 161.83 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.221 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -150.35 149.68 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.29 -35.04 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.481 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.34 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.18 -15.29 59.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.079 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 60.9 mt -62.61 -36.0 81.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.024 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.2 -21.71 66.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -127.11 38.48 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.543 179.422 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.01 116.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.938 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 13.4 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.437 -0.792 . . . . 1.0 110.351 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 110.079 -0.341 . . . . 1.0 110.079 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.514 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.55 179.5 4.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 1.0 109.986 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -65.38 143.48 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.389 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.98 12.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.697 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -95.97 117.76 31.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.468 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 5.5 m0 -53.81 148.88 9.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.945 0.402 . . . . 1.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.136 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.5 m . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.988 0.423 . . . . 1.0 109.977 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 18' ' ' MET . 55.0 m -95.87 98.9 10.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.879 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.7 p -35.75 147.93 0.16 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.983 -179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -76.49 4.23 18.67 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.555 -1.852 . . . . 1.0 111.799 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.514 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 4.0 mtp -60.19 133.21 55.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.573 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.72 147.24 37.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.148 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 t -52.87 103.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.118 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 94.9 t -108.76 167.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.499 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -105.97 157.93 17.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.992 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.627 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -114.15 -100.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.139 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.93 -79.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.975 -0.379 . . . . 1.0 109.975 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -86.12 13.49 7.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.404 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.0 m-20 -139.29 83.43 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.351 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.1 tt0 -58.59 -16.98 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -58.2 -16.61 14.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.223 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 46.59 -178.9 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -157.39 161.07 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 1.0 110.614 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 m -70.76 117.24 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.221 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -150.33 136.14 18.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.336 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 p -48.38 158.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.425 ' OG1' ' HB1' ' A' ' 37' ' ' ALA . 28.2 p -143.92 151.71 40.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -60.36 -39.96 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.234 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -64.56 -27.97 69.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB1' ' OG1' ' A' ' 34' ' ' THR . . . -66.09 -15.41 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.007 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 90.5 mt -62.72 -35.35 79.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.081 -0.508 . . . . 1.0 109.794 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.615 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.28 -21.71 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.547 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -122.23 38.65 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.741 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.48 109.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.58 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 7.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.545 -0.741 . . . . 1.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.75 -178.94 3.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.058 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 24.4 mtmm -71.5 143.1 50.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.371 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 80.45 -4.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.736 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -94.83 123.05 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.57 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.9 m0 -40.03 157.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.21 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 1.0 110.269 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 CA--C 1.519 -0.224 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 63.8 m -94.1 95.69 9.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.025 0.441 . . . . 1.0 110.122 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 9.8 p -34.8 147.05 0.14 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.971 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 45.9 Cg_endo -75.35 3.16 15.56 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.45 -1.896 . . . . 1.0 111.872 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.5 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 5.8 mtp -58.74 135.53 57.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.9 tttp -133.53 146.07 50.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.037 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.1 105.23 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 97.5 t -104.54 166.17 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.153 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 17.6 t80 -105.81 157.55 17.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.282 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.593 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -112.62 -101.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.176 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.7 -76.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.843 -0.429 . . . . 1.0 109.843 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.3 p90 -88.53 17.76 5.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.136 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 9.5 m-20 -145.18 89.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.069 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.583 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 36.0 tt0 -58.65 -24.86 62.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.518 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 28.4 pt20 -57.93 -16.72 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 43.03 -164.25 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.442 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -156.38 165.25 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 1.0 110.355 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 88.9 m -77.74 119.8 21.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.983 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 4.4 mt-30 -139.68 136.98 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0 110.565 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -64.65 110.04 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.273 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 p -95.38 151.9 18.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.61 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.73 -33.27 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.012 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.541 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 96.9 p -63.52 -28.73 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.12 -15.74 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 29.9 mt -61.94 -35.66 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.138 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.2 -21.03 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.686 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -130.37 40.94 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.806 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.2 tptm -33.59 101.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.775 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.4 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.512 -0.756 . . . . 1.0 110.344 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.094 0 N-CA-C 110.048 -0.352 . . . . 1.0 110.048 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.62 -177.49 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.977 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 12.7 mttm -69.61 142.06 53.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.468 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 76.71 15.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -101.57 117.69 35.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 1.0 110.491 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.613 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.5 m0 -40.99 137.13 1.31 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 1.0 110.515 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' GLN . 5.3 t . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 18' ' ' MET . 77.0 m . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 120.916 0.389 . . . . 1.0 109.986 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 18' ' ' MET . 55.5 m -95.25 98.73 10.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.993 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' C ' ' CB ' ' A' ' 42' ' ' CYS . 6.9 p -36.11 148.8 0.15 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.638 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 48.5 Cg_endo -77.96 7.32 21.88 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.584 -1.84 . . . . 1.0 112.042 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.456 ' HE3' ' HB2' ' A' ' 15' ' ' CYS . 3.6 mtp -62.14 127.06 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.023 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 m -49.27 109.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.907 -0.405 . . . . 1.0 109.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.509 ' CG2' ' HB2' ' A' ' 32' ' ' GLN . 53.5 t -104.32 162.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.255 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.5 t80 -108.97 138.63 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.297 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.48 -106.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.02 -70.79 0.1 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.465 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -85.92 13.21 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.168 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 6.5 m-20 -144.04 87.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 34.3 tt0 -59.82 -20.66 58.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.384 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.613 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.9 pt20 -62.65 -12.76 25.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.472 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.05 -159.66 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -170.51 156.33 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.452 . . . . 1.0 110.728 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -64.56 113.69 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.266 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 40.3 mt-30 -145.46 130.74 18.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.228 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -56.45 169.33 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.7 p -150.31 156.8 42.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.76 -38.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.856 0.36 . . . . 1.0 110.094 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.59 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -63.17 -17.74 62.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.982 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 87.8 mt -61.99 -37.9 86.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.043 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.27 -21.97 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 39.37 3.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.652 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HE3' ' CD2' ' A' ' 38' ' ' LEU . 3.9 tttt -42.27 110.51 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.679 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.487 ' CB ' ' C ' ' A' ' 16' ' ' CYS . 12.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.466 -0.778 . . . . 1.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.523 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.885 0.374 . . . . 1.0 110.674 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 3.0 mmmm -107.55 -170.64 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.96 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 10.0 mttt -73.81 155.42 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 1.0 110.28 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.84 3.61 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.684 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.8 119.04 29.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 1.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.504 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 9.3 m0 -45.86 144.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.626 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 11.7 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.433 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.856 0.36 . . . . 1.0 110.185 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.517 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 95.8 m -92.68 100.11 12.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.252 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.9 p -36.57 148.49 0.18 Allowed Pre-proline 0 CA--C 1.52 -0.202 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.031 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 45.7 Cg_endo -78.23 8.55 21.42 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.667 -1.806 . . . . 1.0 112.325 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.523 ' CE ' ' O ' ' A' ' 2' ' ' ALA . 41.7 mtm -55.4 119.06 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 144.32 44.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.62 105.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.998 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.479 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 23.4 t -104.63 157.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.489 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -107.61 155.7 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.134 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.635 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -120.74 -104.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -162.75 -81.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 1.0 110.214 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 1.4 p90 -58.68 -16.87 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.087 0.47 . . . . 1.0 110.124 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.3 p30 -129.41 84.41 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.72 -0.673 . . . . 1.0 109.551 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -55.98 -21.23 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.493 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.504 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.1 pt20 -59.28 -13.02 6.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.645 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.44 -172.69 0.11 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -151.49 161.96 41.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.91 0.386 . . . . 1.0 110.162 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -77.45 120.75 22.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -147.67 127.28 13.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 1.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.466 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 33.6 p -62.22 116.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.181 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -100.01 159.58 14.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.539 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.02 -33.4 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.918 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.508 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.1 p -63.84 -29.3 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -16.05 60.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.698 . . . . 1.0 109.983 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.3 mt -62.28 -36.72 82.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.984 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.61 -21.12 64.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 1.0 109.618 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.5 ptmm? -124.51 39.46 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.95 113.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.904 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 20.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.397 -0.811 . . . . 1.0 110.378 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 173.43 6.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.0 mtmp? -64.08 145.15 56.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.16 8.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.0 m-80 -95.18 118.33 31.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 1.0 110.45 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.425 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 8.9 m0 -50.77 142.94 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.441 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 18' ' ' MET . 22.4 m -97.0 101.8 13.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.403 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -38.05 149.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.528 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -77.52 5.93 21.29 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 -1.805 . . . . 1.0 112.004 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mtp -58.35 125.52 23.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.352 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' O ' HG21 ' A' ' 21' ' ' VAL . 15.9 ttmt -133.12 146.43 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.208 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.81 101.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 1.0 109.964 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 93.7 t -104.51 166.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 18.6 t80 -103.34 159.24 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.055 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -115.37 -100.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.55 -79.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.601 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -86.0 13.68 7.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.294 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.601 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 15.4 m-20 -139.89 86.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.987 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.573 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 31.9 tt0 -58.52 -20.9 50.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 2.5 pt20 -59.22 -18.87 40.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.8 -166.58 0.08 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -164.65 162.66 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 1.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 64.6 m -68.78 116.27 9.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.051 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mt-30 -144.69 135.7 24.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' HG21 ' A' ' 34' ' ' THR . 21.5 p -54.62 157.24 3.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.983 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.452 HG21 ' O ' ' A' ' 33' ' ' SER . 38.2 p -148.59 150.51 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.509 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 38' ' ' LEU . 1.1 mp -61.75 -34.04 60.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.102 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.88 -28.67 70.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.14 -14.75 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.121 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 50.6 mt -62.39 -34.09 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 1.0 109.969 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -62.73 -22.44 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 11.0 pttp -126.05 39.08 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.674 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.89 104.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.733 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.1 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 13.8 mmtt -104.49 179.2 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.0 109.999 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -70.8 147.89 48.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.26 -7.54 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.686 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 3' ' ' LYS . 50.0 m-80 -89.89 122.75 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.221 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 8.0 m0 -44.08 165.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 1.0 110.773 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.52 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' MET . 29.4 m . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.882 0.372 . . . . 1.0 110.031 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' MET . 51.4 m -95.0 99.41 11.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.302 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -37.14 148.72 0.19 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.709 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.0 Cg_endo -76.42 4.31 18.36 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.627 -1.822 . . . . 1.0 111.962 -0.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 9.5 mtp -56.33 122.08 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -125.79 153.66 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.16 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.46 111.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.134 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.509 ' CG2' ' HB2' ' A' ' 32' ' ' GLN . 15.6 t -105.56 150.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.446 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 2.1 t80 -107.81 137.1 46.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.27 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.76 -105.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.094 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.89 -72.71 0.11 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 26' ' ' ASN . 3.8 p90 -81.98 5.95 17.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.576 . . . . 1.0 109.953 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 1.6 m-80 -133.86 82.93 2.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.931 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 28.7 tt0 -60.59 -25.38 66.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.153 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.622 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 8.8 pt20 -58.87 -16.54 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.224 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.96 -170.53 0.04 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -156.31 159.96 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 1.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.8 m -74.56 126.13 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 96.0 mt-30 -149.72 143.24 25.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.388 . . . . 1.0 110.682 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 p -91.53 150.78 21.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.773 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.58 -34.5 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 1.0 109.996 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.499 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.7 -29.28 70.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.06 -16.2 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.99 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 86.3 mt -62.18 -36.79 82.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.931 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.02 -22.3 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.544 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.1 ptmm? -121.45 38.65 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.576 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -33.66 115.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.89 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.464 -0.779 . . . . 1.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.468 ' O ' ' HE3' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.822 0.344 . . . . 1.0 110.381 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -121.93 177.17 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.179 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 5' ' ' ARG . 13.7 mtpp -67.82 149.91 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 71.89 17.46 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 2.5 m-80 -95.66 125.25 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.467 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.08 122.47 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.275 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 120.953 0.406 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HB2' ' HE3' ' A' ' 18' ' ' MET . 62.3 m -93.5 92.45 7.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.49 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.4 p -35.15 146.72 0.17 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.544 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.8 Cg_endo -81.11 12.12 28.2 Favored 'Cis proline' 0 C--O 1.23 0.117 0 C-N-CA 122.74 -1.775 . . . . 1.0 112.146 0.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 15' ' ' CYS . 19.9 mtp -52.04 120.54 5.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.444 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.522 ' CG ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -124.51 135.88 53.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.953 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 11.4 t -48.41 110.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 32' ' ' GLN . 70.5 t -110.39 160.66 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.546 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 9.7 t80 -107.15 154.21 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.095 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -110.11 -103.45 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.195 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.39 -71.61 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.906 -0.405 . . . . 1.0 109.906 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -87.47 16.52 5.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.229 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.562 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 36.7 m-20 -150.29 93.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.891 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 19.1 tt0 -58.49 -30.16 66.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 25.5 pt20 -55.52 -19.52 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' TRP . . . 40.92 -160.12 0.02 OUTLIER Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.1 p -156.26 163.37 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 1.0 110.316 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 32.6 m -75.63 127.63 33.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' HB2' HG22 ' A' ' 21' ' ' VAL . 65.1 mt-30 -146.48 128.54 15.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.959 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 52.2 p -51.26 105.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.522 HG23 ' CG ' ' A' ' 19' ' ' LYS . 37.1 p -89.45 151.78 21.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.667 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.25 -34.17 59.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.086 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.482 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -63.44 -29.94 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -16.39 60.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.077 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -61.95 -36.99 83.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.599 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.68 -20.47 56.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.9 ptmt -127.46 39.97 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -31.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.889 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.443 -0.789 . . . . 1.0 110.484 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 8.8 mptt -104.56 -178.0 3.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mtpt -69.1 142.71 54.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.14 12.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.53 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 5.4 m-80 -103.93 117.96 35.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.601 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.541 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.52 136.64 16.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.082 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.313 -179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 18' ' ' MET . 7.6 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.884 0.373 . . . . 1.0 110.391 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 18' ' ' MET . 22.2 m -94.86 105.36 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.315 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 3.0 p -38.29 149.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.53 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.4 Cg_endo -76.96 5.04 19.51 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.595 -1.836 . . . . 1.0 111.716 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 1.5 mtp -62.76 130.45 44.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.31 154.16 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.933 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -63.35 121.43 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 91.2 t -115.49 157.72 16.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.063 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.1 t80 -108.48 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.489 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.97 -102.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.932 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -154.68 -76.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.462 -0.569 . . . . 1.0 109.462 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.6 p90 -81.27 4.94 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.172 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.5 m-80 -128.94 78.02 1.83 Allowed 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.203 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 44.4 tt0 -60.47 -15.17 24.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 1.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.541 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 13.6 pt20 -66.6 -9.26 33.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.535 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 48.24 -177.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.111 -0.795 . . . . 1.0 111.111 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -153.39 154.71 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.21 0.529 . . . . 1.0 110.535 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 2' ' ' ALA . 82.5 m -79.45 121.3 25.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.408 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -149.77 142.67 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -62.59 104.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.25 152.21 21.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.637 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.07 -34.31 62.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 1.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.484 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -63.74 -29.09 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -62.91 -16.77 60.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.0 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 53.2 mt -61.93 -38.76 89.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.052 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.609 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -60.47 -22.79 63.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.51 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -123.85 39.57 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.702 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.3 mmtt -33.84 112.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.57 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 5.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.314 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.1 -0.333 . . . . 1.0 110.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.56 174.64 5.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.102 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 5.6 mtpp -66.68 144.66 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.13 11.12 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.465 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -91.2 121.02 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.564 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 5.3 m0 -59.98 132.8 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.406 . . . . 1.0 110.437 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HB2' ' HE3' ' A' ' 18' ' ' MET . 54.1 m -94.9 98.63 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.908 0.385 . . . . 1.0 110.41 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.3 p -37.39 148.7 0.2 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.719 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 45.4 Cg_endo -75.88 4.31 16.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.555 -1.852 . . . . 1.0 112.042 -0.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 15' ' ' CYS . 9.3 mtp -56.7 128.83 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.345 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 136.81 45.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.41 103.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.91 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 62.7 t -104.39 166.03 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -108.49 160.4 15.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.299 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.643 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -122.5 -105.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.038 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -165.78 -71.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 1.0 109.917 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.587 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 10.9 p90 -69.78 -6.68 33.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.311 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 4.7 p30 -141.62 87.27 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.794 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 6.8 tt0 -57.13 -18.48 15.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.564 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 21.1 pt20 -62.3 -11.75 16.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.623 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.99 -167.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -164.47 161.03 21.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.361 . . . . 1.0 110.631 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 77.8 m -68.4 118.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.219 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -146.54 133.15 19.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -53.87 165.05 0.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.308 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 p -150.37 151.89 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.497 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.56 -38.09 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.405 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.21 -24.46 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.17 62.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 1.0 109.98 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 36.0 mt -62.42 -37.04 84.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.972 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.628 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.6 -22.07 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.589 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.35 37.74 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.688 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.2 mmtt -36.41 116.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.759 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.468 -0.777 . . . . 1.0 110.505 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 6.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.865 0.364 . . . . 1.0 110.092 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.41 161.95 30.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.874 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.65 178.18 4.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.149 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.7 mtpm? -67.44 143.39 56.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.439 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.12 18.22 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 30' ' ' SER . 4.2 m-80 -98.84 124.87 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD1' ' CB ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -54.35 135.96 44.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.383 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' GLN . 51.9 t -102.71 155.22 18.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.181 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.05 -123.93 0.69 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.647 -0.981 . . . . 1.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 11' ' ' THR . 9.1 t -53.68 134.62 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.538 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -174.03 -47.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.977 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.31 153.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.783 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' MET . 5.8 m -107.81 -175.75 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.814 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 18' ' ' MET . 26.2 m -97.58 102.13 13.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.44 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.7 p -37.41 147.87 0.22 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.64 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.1 Cg_endo -77.33 6.98 19.33 Favored 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.725 -1.781 . . . . 1.0 112.163 0.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.524 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 5.5 mtp -60.65 126.0 25.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.671 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -133.79 144.72 49.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.131 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 m -50.81 119.47 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 1.0 110.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 77.9 t -120.27 170.06 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.254 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 6.7 t80 -113.07 146.37 39.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.794 0.33 . . . . 1.0 110.342 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -98.81 -102.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.05 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -152.74 -83.26 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.63 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -81.58 5.72 17.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.283 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.63 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.1 m-20 -132.78 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.514 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.0 tt0 -51.59 -20.86 2.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.041 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' CB ' ' CD1' ' A' ' 7' ' ' TRP . 5.8 mm-40 -40.36 -33.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.287 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 63.3 169.91 1.35 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.563 -1.015 . . . . 1.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -148.58 152.68 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.134 0.492 . . . . 1.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 70.8 m -73.08 118.69 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.153 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -147.87 135.43 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.441 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 24.3 p -53.75 111.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.7 p -89.76 153.76 20.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.562 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.47 -42.43 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.082 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -62.65 -18.12 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.013 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 84.5 mt -62.03 -39.57 92.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.85 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -61.37 -21.63 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.588 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -125.48 39.43 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.852 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -34.45 112.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.749 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 9.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.445 -0.788 . . . . 1.0 110.321 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.09 162.63 28.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.939 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.53 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 1.0 109.962 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.4 mttp -68.87 146.32 52.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.448 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 76.25 11.77 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 30' ' ' SER . 3.4 m-80 -93.4 121.93 35.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.548 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 6.7 m0 -52.54 128.35 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -173.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.3 -144.78 15.35 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.321 -1.112 . . . . 1.0 110.321 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.4 tttp -61.37 -73.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' LYS . 40.3 p 33.89 -150.8 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.42 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -147.94 66.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 1.0 110.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.44 150.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.753 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 8.7 m -86.52 -175.25 5.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 1.0 109.966 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 18' ' ' MET . 28.6 m -98.39 100.66 11.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.499 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.2 p -38.41 147.41 0.26 Allowed Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.7 Cg_endo -77.54 8.69 18.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.789 -1.755 . . . . 1.0 112.566 0.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 11.1 mtp -60.42 128.54 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' CG ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -136.53 148.86 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.209 179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.7 t -49.11 109.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 51.7 t -110.82 166.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 27' ' ' GLU . 16.5 t80 -102.15 159.66 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.042 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.05 -105.29 0.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.215 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.11 -79.58 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.901 -0.407 . . . . 1.0 109.901 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -86.8 15.29 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.338 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 28.0 m-20 -142.69 90.28 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.703 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . 5.3 tt0 -57.58 -22.93 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.758 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 18.6 pt20 -59.72 -15.02 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 1.0 110.57 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 44.39 -167.31 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -156.39 160.5 39.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.403 . . . . 1.0 110.519 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 71.5 m -70.03 120.85 16.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.079 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.46 ' HB2' HG22 ' A' ' 21' ' ' VAL . 44.3 mt-30 -147.85 133.85 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.463 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 22.0 p -64.44 113.78 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.468 HG22 ' CG ' ' A' ' 19' ' ' LYS . 5.1 p -96.86 159.29 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.544 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -34.71 67.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.878 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.6 p -63.39 -19.67 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.1 -16.69 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 77.2 mt -62.41 -37.53 86.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.759 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.595 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.12 -22.13 66.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.505 179.417 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -128.94 37.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.762 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.12 112.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.757 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 10.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 1.0 110.238 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.548 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.5 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 18' ' ' MET . . . -144.64 -169.81 3.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.098 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.0 OUTLIER -113.57 -172.83 2.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.054 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' N ' ' SD ' ' A' ' 18' ' ' MET . 32.8 mtmt -70.38 148.34 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.146 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.58 4.48 2.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.476 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.9 m-80 -89.37 176.77 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.682 -0.488 . . . . 1.0 109.682 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.583 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.1 m0 -91.26 149.83 21.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.669 0.271 . . . . 1.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t -36.15 133.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.322 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 10' ' ' LYS . . . -64.65 -79.92 0.16 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 80.58 -52.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 1.0 109.94 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -49.84 -50.58 44.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.938 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 41.3 mm-40 -137.31 -60.75 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.407 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 156.86 134.64 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.431 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 72.9 m -48.43 175.02 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.5 m -96.82 101.27 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 1.0 110.183 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -36.88 148.32 0.19 Allowed Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.951 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 33' ' ' SER . 47.4 Cg_endo -77.19 6.24 19.42 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 -1.814 . . . . 1.0 112.231 -0.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.533 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 50.4 mtm -54.93 121.25 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.543 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -120.85 138.51 54.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.474 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.32 105.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.123 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 78.5 t -104.91 166.54 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.628 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 1.5 t80 -104.59 130.34 52.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.178 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.99 -102.73 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.035 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.51 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.435 -0.579 . . . . 1.0 109.435 179.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.629 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.7 p90 -83.06 7.63 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.033 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.629 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.4 m-80 -132.87 81.62 1.95 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.221 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 56.3 tt0 -60.0 -14.1 14.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.202 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.583 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 3.1 pt20 -71.41 -2.23 15.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.687 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.13 -175.28 0.02 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -151.95 158.87 43.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.889 0.376 . . . . 1.0 110.584 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.2 m -79.45 116.52 19.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.773 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -147.42 125.41 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.542 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 17' ' ' PRO . 3.1 p -61.65 113.24 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 26.2 p -94.28 154.71 17.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.576 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.35 -34.38 64.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.184 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.529 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -64.1 -28.63 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 34' ' ' THR . . . -65.4 -13.67 59.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.096 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.0 mt -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.71 -21.03 66.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 8.1 ptmt -124.85 36.99 4.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.474 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.0 mmtt -33.53 114.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.985 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.491 -0.766 . . . . 1.0 110.355 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -146.07 -175.98 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.222 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' N ' ' HE3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.0 -171.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.015 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mttp -70.73 147.15 49.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.31 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.98 4.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.895 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-80 -89.96 161.02 16.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.572 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 5.1 m0 -90.76 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.195 -0.298 . . . . 1.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 36.0 m -71.42 -164.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 1.0 110.528 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 10' ' ' LYS . . . -179.23 38.75 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' GLY . 3.3 ttpp 67.1 -79.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 1.0 110.182 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 4.8 t -63.31 160.61 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.18 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 65.07 114.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.48 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.99 42.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 76.6 m 54.25 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.216 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.2 m -97.73 99.05 10.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.12 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -37.05 149.35 0.18 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -77.59 6.24 21.3 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.609 -1.829 . . . . 1.0 111.905 -0.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.519 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 38.5 mtm -54.71 118.73 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.629 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 135.76 54.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.899 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.31 118.98 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 1.0 110.23 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.495 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 t -108.3 156.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.142 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.92 125.93 49.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.967 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 -104.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.762 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -153.5 -74.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -82.07 5.03 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.923 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.546 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -128.16 77.98 1.8 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.309 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -14.51 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.572 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 7.1 pt20 -71.64 -1.72 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 43.06 -171.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -156.78 158.01 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.174 0.512 . . . . 1.0 111.236 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.6 m -73.97 112.48 10.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.328 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 21' ' ' VAL . 47.9 mt-30 -147.39 120.04 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -61.3 119.4 8.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.389 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -92.91 160.91 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.689 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.54 -43.85 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.198 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.8 p -63.08 -19.87 64.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.95 -15.78 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.242 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.56 -35.63 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.993 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -62.96 -18.78 63.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.791 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -127.61 38.95 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.818 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.28 102.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.799 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.7 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.506 -0.759 . . . . 1.0 110.46 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . . . -135.23 168.32 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 1.0 109.991 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 175.76 5.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.3 mtmp? -65.33 145.07 56.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.91 0.386 . . . . 1.0 110.478 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.43 14.19 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.717 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.6 m-80 -96.38 118.03 32.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.47 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -43.35 143.62 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.45 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 46.4 t -101.45 -55.96 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.79 79.43 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.2 OUTLIER 60.58 -161.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 110.353 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 10' ' ' LYS . 28.8 p 44.12 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -160.43 136.43 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.377 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.3 m-20 164.7 97.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 1.0 111.001 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 62.1 m -135.54 176.69 8.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.781 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.9 m -95.05 98.01 10.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.328 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 4.4 p -37.21 148.34 0.2 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.644 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.5 Cg_endo -78.1 7.29 22.56 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 -1.802 . . . . 1.0 112.019 0.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.471 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 8.0 mtp -58.88 125.73 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 21.9 ttmt -132.28 143.33 49.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.156 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.99 102.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 1.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 4.9 t -104.44 173.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.337 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 16.6 t80 -105.87 156.71 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.045 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.43 -100.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.014 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -156.63 -76.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.924 -0.398 . . . . 1.0 109.924 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -88.95 19.12 4.3 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.207 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 48.4 m-20 -147.35 89.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 35.0 tt0 -58.87 -22.66 59.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 7' ' ' TRP . 1.4 pt20 -58.04 -16.32 12.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.57 -160.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -171.15 163.34 7.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 1.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -62.15 111.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.181 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.484 ' HB2' HG22 ' A' ' 21' ' ' VAL . 29.9 mt-30 -140.13 131.53 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.856 0.36 . . . . 1.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' HG21 ' A' ' 34' ' ' THR . 25.1 p -54.23 150.75 8.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.97 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 33' ' ' SER . 38.2 p -143.49 152.57 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.95 -32.71 55.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.011 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.513 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.8 p -63.85 -28.84 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.04 -14.68 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.136 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 35.6 mt -62.37 -34.47 76.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.01 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.38 -21.98 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.3 pttp -126.66 37.74 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.587 -0.733 . . . . 1.0 109.569 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.38 100.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.832 -179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.5 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.47 -0.776 . . . . 1.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.23 163.3 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.053 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.4 OUTLIER -104.69 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 46.8 mtmt -67.67 148.12 51.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.3 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.52 8.8 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.593 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.5 m-80 -93.41 119.38 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.462 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.505 ' CZ3' ' NE2' ' A' ' 28' ' ' GLN . 3.3 m0 -46.28 156.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.457 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.8 t -112.5 158.53 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.14 -135.07 1.97 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.744 -0.943 . . . . 1.0 110.744 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -114.07 118.63 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 1.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m 64.04 95.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -161.91 -44.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.975 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.0 OUTLIER 62.8 144.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.978 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 18' ' ' MET . 27.7 m -110.05 176.01 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.529 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 57.2 m -95.1 102.75 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 1.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -38.55 149.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.616 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.8 Cg_endo -76.41 4.14 18.49 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.458 -1.892 . . . . 1.0 111.83 -0.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.513 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -57.93 124.29 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.285 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -130.69 148.92 52.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.156 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 t -50.39 101.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 80.8 t -104.26 165.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.467 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 21.4 t80 -108.37 159.03 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.325 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.637 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -119.5 -106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.252 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.576 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -166.28 -65.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.576 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 14.0 p90 -76.26 1.01 17.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -149.74 94.33 2.16 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.589 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.6 tt0 -57.49 -23.24 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.96 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.505 ' NE2' ' CZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -62.53 -12.23 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 1.0 110.659 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 42.43 -167.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -156.89 165.3 36.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.0 m -69.31 119.95 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.197 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' HG22 ' A' ' 21' ' ' VAL . 61.4 mt-30 -144.16 136.71 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.619 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.08 112.32 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.42 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.0 p -89.86 150.92 22.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.34 -36.89 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.156 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.505 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.33 -29.58 70.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -63.46 -17.56 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.09 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 97.6 mt -60.92 -36.81 80.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.145 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.28 -26.62 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -122.41 37.99 4.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.619 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HE3' HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -38.6 120.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.722 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 7.9 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.472 -0.775 . . . . 1.0 110.584 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.525 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.96 169.13 18.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.032 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.58 178.91 4.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.927 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -64.15 142.76 58.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.368 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.3 13.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.802 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -96.78 117.4 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.539 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.538 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.0 m0 -53.8 150.19 7.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.51 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.1 m -90.34 134.99 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.077 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.65 45.4 0.08 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HB3' ' OE2' ' A' ' 12' ' ' GLU . 13.6 ttmt -174.7 161.63 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 1.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p -77.25 102.71 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' OE2' ' HB3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -179.5 148.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.397 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.8 p-10 -100.31 38.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.123 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.2 m 46.82 -177.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 50.9 m -96.38 99.01 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.948 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.3 p -35.71 147.88 0.16 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.004 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -76.83 4.47 19.63 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.536 -1.86 . . . . 1.0 111.709 0.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -60.17 132.19 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.565 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.112 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -53.72 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.322 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 93.5 t -105.02 165.55 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 3.7 t80 -106.83 146.78 30.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.192 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -108.38 -111.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.076 -0.342 . . . . 1.0 110.076 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -150.69 -71.23 0.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -86.53 13.9 7.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.313 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 5.2 m-80 -141.91 80.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.106 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 38.3 tt0 -60.5 -16.77 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.737 0.303 . . . . 1.0 110.246 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -62.39 -12.45 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.261 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 48.5 178.61 0.01 OUTLIER Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -159.26 162.89 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 1.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.9 m -72.47 117.02 13.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -150.7 135.09 17.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.316 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 p -48.53 157.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 1.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 27.6 p -143.65 152.15 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 1.0 110.507 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.3 -39.75 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.3 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.53 -28.25 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 34' ' ' THR . . . -65.93 -15.45 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.016 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 88.3 mt -62.48 -35.8 80.49 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.855 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -63.23 -22.2 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.528 179.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -121.4 38.53 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.753 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.33 109.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.636 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.0 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.631 -0.699 . . . . 1.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.553 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.4 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.522 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -150.28 -173.87 4.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.268 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -107.77 -172.68 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.138 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 19.7 mttp -69.18 148.26 50.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.186 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.24 6.35 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.467 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 3.1 m-80 -89.78 174.98 7.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.186 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.608 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.4 m0 -95.26 149.29 21.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.387 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.0 t -108.18 92.7 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.466 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.2 -143.45 3.2 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' O ' HG21 ' A' ' 11' ' ' THR . 0.2 OUTLIER -111.18 160.36 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.426 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 10' ' ' LYS . 1.8 t 36.06 60.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.473 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 5.9 pt-20 -178.33 70.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -53.12 168.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 78.3 m -87.16 177.68 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.862 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.553 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 57.6 m -95.59 101.74 13.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.948 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 7.9 p -37.18 149.32 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.816 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 47.6 Cg_endo -77.74 5.95 22.3 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.577 -1.843 . . . . 1.0 111.859 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.531 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 41.7 mtm -53.95 119.52 5.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.384 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -111.34 138.66 47.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.219 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.75 104.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 9.6 t -104.12 164.65 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.396 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 23.5 t80 -102.75 160.3 14.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.144 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.631 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -118.23 -99.93 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.132 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.65 -79.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -86.13 12.86 8.76 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 12.7 m-20 -136.52 85.48 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.971 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 33.0 tt0 -59.34 -23.31 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.462 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 9.2 pt20 -59.26 -15.1 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.84 -173.63 0.1 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -143.26 161.23 38.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 1.0 110.461 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.7 m -82.18 114.98 21.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.13 125.37 11.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.83 0.347 . . . . 1.0 110.536 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.428 ' C ' HG21 ' A' ' 34' ' ' THR . 24.4 p -45.72 161.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.912 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.463 ' OG1' ' HB1' ' A' ' 37' ' ' ALA . 75.7 p -142.41 157.09 45.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 1.0 110.478 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -60.84 -41.57 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.463 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.5 p -64.35 -23.63 67.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB1' ' OG1' ' A' ' 34' ' ' THR . . . -63.57 -17.39 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.852 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.02 -39.11 91.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.911 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -59.43 -21.64 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.611 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -131.51 41.52 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.741 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.88 95.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.665 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.6 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.481 -0.771 . . . . 1.0 110.437 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.554 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 4.8 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.525 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -150.4 -175.89 5.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 1.0 110.604 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 1.4 mptp? -105.62 -171.65 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.1 mtmm -74.77 155.25 37.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 73.84 5.04 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.802 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -91.74 117.29 29.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 1.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.594 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 10.7 m0 -43.37 148.44 0.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.358 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 62.7 m -69.19 -33.67 73.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -36.14 -63.41 0.65 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.548 -1.021 . . . . 1.0 110.548 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' O ' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -47.57 106.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 1.0 110.242 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.484 HG21 ' O ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER 48.24 -171.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.237 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -112.88 165.43 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.503 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 50.61 173.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.259 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -145.64 -161.99 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.412 179.732 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 73.5 m -91.69 97.7 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.462 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' CYS . 1.6 p -34.19 146.93 0.13 Allowed Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.804 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 45.8 Cg_endo -81.01 11.25 29.59 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.816 -1.743 . . . . 1.0 112.074 0.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.529 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 29.6 mtm -54.03 120.06 5.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 20' ' ' CYS . 2.7 ttpt -124.3 144.35 50.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 43.8 t -59.55 115.98 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.096 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 50.2 t -113.06 161.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.503 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.9 t80 -108.22 139.85 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.13 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.42 -103.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.13 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.34 -75.31 0.08 Allowed 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 179.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.3 p90 -79.77 4.25 16.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.36 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m-20 -135.98 82.3 1.94 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.153 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 19.1 tt0 -59.3 -15.83 18.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.594 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.8 pt20 -62.74 -12.16 22.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.371 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 44.67 -175.43 0.01 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -158.4 163.93 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.465 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.9 m -76.2 126.43 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.977 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -150.58 126.4 10.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.164 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.32 100.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 109.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -89.81 158.84 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.736 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.15 -33.41 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.979 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.86 -28.55 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.75 -15.33 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.03 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -62.35 -35.19 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.983 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.45 -21.13 63.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.534 179.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.61 38.51 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.607 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.1 112.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.929 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.771 . . . . 1.0 110.343 179.782 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.548 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.0 t . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' O ' ' HE2' ' A' ' 18' ' ' MET . . . -156.01 -167.41 2.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 1.0 110.297 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -110.62 -172.68 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.847 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 25.7 mtmm -67.08 154.33 41.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.164 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.37 1.88 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.754 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -89.76 116.64 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 1.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.573 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 13.1 m0 -41.28 139.65 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 18.7 t -50.78 -71.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.8 164.89 0.35 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -48.99 155.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.66 0.267 . . . . 1.0 110.44 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.6 m 86.5 -42.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.313 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.8 pt-20 35.41 46.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.469 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' OD1' ' CG2' ' A' ' 11' ' ' THR . 11.1 p-10 -110.19 60.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.533 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 13.3 m -63.07 177.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 62.7 m -93.67 103.78 15.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.3 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.7 p -38.56 150.04 0.21 Allowed Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.81 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.9 Cg_endo -78.03 7.85 21.48 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.618 -1.826 . . . . 1.0 112.129 -0.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.527 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 50.9 mtm -55.68 124.3 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -126.81 143.61 51.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.17 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.4 104.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.1 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 22.6 t -104.82 162.61 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 5.2 t80 -103.22 151.22 22.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.049 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.7 -106.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.153 -0.314 . . . . 1.0 110.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.81 -69.17 0.09 Allowed 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -86.33 14.12 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 12.6 m-20 -148.13 91.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 36.5 tt0 -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.213 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 16.7 pt20 -61.07 -14.12 21.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.311 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.66 -167.1 0.05 OUTLIER Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.077 -0.809 . . . . 1.0 111.077 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -153.63 163.84 39.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.897 0.379 . . . . 1.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 62.9 m -73.66 120.99 20.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' HB2' HG22 ' A' ' 21' ' ' VAL . 71.6 mt-30 -147.92 127.71 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' HG21 ' A' ' 34' ' ' THR . 21.9 p -58.61 163.51 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.055 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 33' ' ' SER . 33.0 p -144.56 155.72 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.602 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.4 -41.15 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.244 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.52 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.9 p -64.07 -20.27 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . . . -67.18 -14.07 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.165 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 80.2 mt -62.88 -32.53 73.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.821 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -63.22 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.614 179.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 14.8 pttp -126.63 38.31 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.572 -0.74 . . . . 1.0 109.68 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -37.16 114.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.723 -179.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.488 -0.767 . . . . 1.0 110.415 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.911 0.386 . . . . 1.0 110.036 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.78 159.13 36.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.767 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 7.4 mtmt -104.5 171.61 7.24 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -64.99 151.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.258 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.16 5.32 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.846 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.7 m-80 -89.38 118.1 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 4.8 m0 -50.25 152.43 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.612 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -103.35 155.1 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.347 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.77 101.42 0.17 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.62 -169.05 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 1.0 110.577 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 p -68.31 105.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.429 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 4.3 mt-10 -125.95 -171.43 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 12' ' ' GLU . 64.3 m-20 -137.73 122.3 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 1.0 111.599 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 22.5 m -105.45 175.13 5.6 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 18' ' ' MET . 35.4 m -96.72 101.84 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.901 0.381 . . . . 1.0 110.782 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -39.71 148.41 0.3 Allowed Pre-proline 0 N--CA 1.462 0.13 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.568 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.1 Cg_endo -77.24 8.78 17.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 -1.788 . . . . 1.0 112.469 0.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.495 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 5.7 mtp -62.12 131.53 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 1.0 110.279 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.86 156.54 44.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.3 t -53.7 105.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 22' ' ' TYR . 90.3 t -105.83 165.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.595 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 1.9 t80 -114.47 135.54 54.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.376 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.52 -105.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.102 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.59 -73.45 0.11 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.494 -0.558 . . . . 1.0 109.494 179.465 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.4 p90 -84.52 9.24 14.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.032 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.9 m-80 -136.15 84.32 2.07 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.586 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.4 tt0 -59.34 -22.0 60.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.599 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.6 pt20 -59.08 -22.0 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 51.05 -165.6 0.74 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -169.98 160.66 8.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 1.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 63.1 m -64.62 119.05 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.953 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.489 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 93.6 mt-30 -147.53 136.47 22.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.238 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -56.53 161.83 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.221 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -150.35 149.68 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.29 -35.04 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.481 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.34 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.18 -15.29 59.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.079 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 60.9 mt -62.61 -36.0 81.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.024 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.2 -21.71 66.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -127.11 38.48 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.543 179.422 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.01 116.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.938 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 13.4 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.437 -0.792 . . . . 1.0 110.351 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.525 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.49 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.079 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.514 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.55 179.5 4.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 1.0 109.986 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -65.38 143.48 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.389 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.98 12.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.697 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -95.97 117.76 31.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.468 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 5.5 m0 -53.81 148.88 9.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.945 0.402 . . . . 1.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -89.7 133.83 34.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.136 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.58 45.98 0.1 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HB3' ' OE2' ' A' ' 12' ' ' GLU . 13.9 ttmt -176.55 161.98 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 1.0 110.477 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.0 p -76.37 103.53 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' OE2' ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -179.31 147.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.35 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.4 p-10 -99.47 37.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.171 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.5 m 47.09 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.977 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.0 m -95.87 98.9 10.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.879 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.7 p -35.75 147.93 0.16 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.983 -179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -76.49 4.23 18.67 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.555 -1.852 . . . . 1.0 111.799 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.514 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 4.0 mtp -60.19 133.21 55.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.573 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.72 147.24 37.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.148 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 t -52.87 103.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.118 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 94.9 t -108.76 167.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.499 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -105.97 157.93 17.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.992 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.627 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -114.15 -100.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.139 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.93 -79.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.975 -0.379 . . . . 1.0 109.975 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -86.12 13.49 7.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.404 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.0 m-20 -139.29 83.43 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.351 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.1 tt0 -58.59 -16.98 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -58.2 -16.61 14.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.223 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 46.59 -178.9 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -157.39 161.07 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 1.0 110.614 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 m -70.76 117.24 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.221 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -150.33 136.14 18.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.336 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 p -48.38 158.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.425 ' OG1' ' HB1' ' A' ' 37' ' ' ALA . 28.2 p -143.92 151.71 40.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -60.36 -39.96 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.234 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -64.56 -27.97 69.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB1' ' OG1' ' A' ' 34' ' ' THR . . . -66.09 -15.41 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.007 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 90.5 mt -62.72 -35.35 79.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.081 -0.508 . . . . 1.0 109.794 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.615 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.28 -21.71 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.547 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -122.23 38.65 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.741 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.48 109.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.58 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 7.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.545 -0.741 . . . . 1.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.2 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.29 -179.69 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 1.0 110.4 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.75 -178.94 3.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.058 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 24.4 mtmm -71.5 143.1 50.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.371 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 80.45 -4.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.736 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -94.83 123.05 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.57 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.9 m0 -40.03 157.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.21 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' GLY . 3.7 t -67.27 78.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 1.0 110.269 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . -42.69 169.48 0.01 OUTLIER Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 1.0 110.255 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' GLU . 50.7 m -69.11 81.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.3 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' CYS . 7.7 mt-10 -34.63 -53.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.7 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -37.7 94.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 68.8 m -71.93 178.41 3.74 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 63.8 m -94.1 95.69 9.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.025 0.441 . . . . 1.0 110.122 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 9.8 p -34.8 147.05 0.14 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.971 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 45.9 Cg_endo -75.35 3.16 15.56 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.45 -1.896 . . . . 1.0 111.872 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.5 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 5.8 mtp -58.74 135.53 57.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.9 tttp -133.53 146.07 50.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.037 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.1 105.23 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 97.5 t -104.54 166.17 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.153 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 17.6 t80 -105.81 157.55 17.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.282 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.593 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -112.62 -101.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.176 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.7 -76.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.843 -0.429 . . . . 1.0 109.843 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.3 p90 -88.53 17.76 5.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.136 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 9.5 m-20 -145.18 89.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.069 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.583 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 36.0 tt0 -58.65 -24.86 62.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.518 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 28.4 pt20 -57.93 -16.72 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 43.03 -164.25 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.442 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -156.38 165.25 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 1.0 110.355 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 88.9 m -77.74 119.8 21.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.983 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 4.4 mt-30 -139.68 136.98 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0 110.565 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -64.65 110.04 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.273 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 p -95.38 151.9 18.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.61 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.73 -33.27 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.012 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.541 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 96.9 p -63.52 -28.73 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.12 -15.74 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.078 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 29.9 mt -61.94 -35.66 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.138 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.2 -21.03 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.686 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -130.37 40.94 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.806 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.2 tptm -33.59 101.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.775 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.4 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.512 -0.756 . . . . 1.0 110.344 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.534 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.5 t . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.705 -0.48 . . . . 1.0 109.705 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.63 172.77 12.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.048 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.62 -177.49 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.977 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 12.7 mttm -69.61 142.06 53.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.468 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 76.71 15.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -101.57 117.69 35.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 1.0 110.491 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.613 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.5 m0 -40.99 137.13 1.31 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 1.0 110.515 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' GLN . 5.3 t -101.61 151.93 21.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.156 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.0 -76.59 0.72 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.771 -0.931 . . . . 1.0 110.771 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -177.07 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 1.0 110.175 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 15.3 t -112.0 179.29 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.139 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 85.69 -44.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.233 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' OD2' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 75.09 161.98 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 77.0 m -98.11 175.55 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.986 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.5 m -95.25 98.73 10.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.993 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' C ' ' CB ' ' A' ' 42' ' ' CYS . 6.9 p -36.11 148.8 0.15 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.638 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 48.5 Cg_endo -77.96 7.32 21.88 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.584 -1.84 . . . . 1.0 112.042 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.456 ' HE3' ' HB2' ' A' ' 15' ' ' CYS . 3.6 mtp -62.14 127.06 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.023 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 m -49.27 109.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.907 -0.405 . . . . 1.0 109.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.509 ' CG2' ' HB2' ' A' ' 32' ' ' GLN . 53.5 t -104.32 162.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.255 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.5 t80 -108.97 138.63 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.297 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.48 -106.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.02 -70.79 0.1 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.465 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -85.92 13.21 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.168 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 6.5 m-20 -144.04 87.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 34.3 tt0 -59.82 -20.66 58.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.384 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.613 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.9 pt20 -62.65 -12.76 25.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.472 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.05 -159.66 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -170.51 156.33 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.452 . . . . 1.0 110.728 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -64.56 113.69 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.266 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 40.3 mt-30 -145.46 130.74 18.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.228 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -56.45 169.33 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.7 p -150.31 156.8 42.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.76 -38.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.856 0.36 . . . . 1.0 110.094 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.59 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -63.17 -17.74 62.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.982 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 87.8 mt -61.99 -37.9 86.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.043 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.27 -21.97 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 39.37 3.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.652 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HE3' ' CD2' ' A' ' 38' ' ' LEU . 3.9 tttt -42.27 110.51 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.679 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' CB ' ' C ' ' A' ' 16' ' ' CYS . 12.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.466 -0.778 . . . . 1.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 4.4 t . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -165.15 -168.18 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.885 0.374 . . . . 1.0 110.674 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 3.0 mmmm -107.55 -170.64 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.96 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 10.0 mttt -73.81 155.42 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 1.0 110.28 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.84 3.61 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.684 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.8 119.04 29.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 1.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.504 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 9.3 m0 -45.86 144.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.626 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 11.7 t -93.72 -60.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.433 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.96 61.14 7.68 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.91 158.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.763 0.316 . . . . 1.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 40.8 p 45.17 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.217 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 11' ' ' THR . 46.4 mm-40 66.49 100.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.168 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 12.9 t70 -80.55 -15.95 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' ASP . 16.7 m 76.74 -179.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 95.8 m -92.68 100.11 12.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.252 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.9 p -36.57 148.49 0.18 Allowed Pre-proline 0 CA--C 1.52 -0.202 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.031 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 45.7 Cg_endo -78.23 8.55 21.42 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.667 -1.806 . . . . 1.0 112.325 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.523 ' CE ' ' O ' ' A' ' 2' ' ' ALA . 41.7 mtm -55.4 119.06 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 144.32 44.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.62 105.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.998 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 23.4 t -104.63 157.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.489 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -107.61 155.7 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.134 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.635 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -120.74 -104.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -162.75 -81.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 1.0 110.214 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 1.4 p90 -58.68 -16.87 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.087 0.47 . . . . 1.0 110.124 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.3 p30 -129.41 84.41 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.72 -0.673 . . . . 1.0 109.551 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -55.98 -21.23 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.493 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.504 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.1 pt20 -59.28 -13.02 6.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.645 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.479 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.44 -172.69 0.11 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -151.49 161.96 41.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.91 0.386 . . . . 1.0 110.162 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -77.45 120.75 22.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -147.67 127.28 13.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 1.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.466 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 33.6 p -62.22 116.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.181 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 p -100.01 159.58 14.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.539 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.02 -33.4 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.918 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.508 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.1 p -63.84 -29.3 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.91 -16.05 60.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.698 . . . . 1.0 109.983 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.3 mt -62.28 -36.72 82.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.984 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.61 -21.12 64.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 1.0 109.618 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.5 ptmm? -124.51 39.46 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.95 113.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.904 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 20.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.397 -0.811 . . . . 1.0 110.378 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.988 -0.375 . . . . 1.0 109.988 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . . . -129.47 158.51 39.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.874 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 173.43 6.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.0 mtmp? -64.08 145.15 56.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.16 8.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.0 m-80 -95.18 118.33 31.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 1.0 110.45 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.425 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 8.9 m0 -50.77 142.94 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.53 -82.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.441 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 80.95 80.35 0.87 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.509 -1.036 . . . . 1.0 110.509 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.5 OUTLIER 64.61 -171.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' LYS . 77.3 p 43.03 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.169 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.71 144.91 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.293 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 170.55 90.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 1.0 111.25 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -143.48 177.87 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 18' ' ' MET . 22.4 m -97.0 101.8 13.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.403 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -38.05 149.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.528 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -77.52 5.93 21.29 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 -1.805 . . . . 1.0 112.004 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mtp -58.35 125.52 23.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.352 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' O ' HG21 ' A' ' 21' ' ' VAL . 15.9 ttmt -133.12 146.43 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.208 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.81 101.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 1.0 109.964 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 22' ' ' TYR . 93.7 t -104.51 166.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 18.6 t80 -103.34 159.24 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.055 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -115.37 -100.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.55 -79.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.601 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -86.0 13.68 7.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.294 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.601 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 15.4 m-20 -139.89 86.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.987 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.573 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 31.9 tt0 -58.52 -20.9 50.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' GLY . 2.5 pt20 -59.22 -18.87 40.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.8 -166.58 0.08 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -164.65 162.66 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 1.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 64.6 m -68.78 116.27 9.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.051 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mt-30 -144.69 135.7 24.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' HG21 ' A' ' 34' ' ' THR . 21.5 p -54.62 157.24 3.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.983 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 HG21 ' O ' ' A' ' 33' ' ' SER . 38.2 p -148.59 150.51 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.509 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 38' ' ' LEU . 1.1 mp -61.75 -34.04 60.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.102 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.88 -28.67 70.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.14 -14.75 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.121 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 50.6 mt -62.39 -34.09 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 1.0 109.969 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -62.73 -22.44 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 11.0 pttp -126.05 39.08 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.674 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.89 104.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.733 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.1 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.59 168.85 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.872 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 18' ' ' MET . 13.8 mmtt -104.49 179.2 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.0 109.999 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -70.8 147.89 48.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.26 -7.54 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.686 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 3' ' ' LYS . 50.0 m-80 -89.89 122.75 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.221 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 8.0 m0 -44.08 165.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 1.0 110.773 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.49 146.76 24.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.52 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.69 -103.64 0.57 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 11' ' ' THR . 4.4 ptpt -151.34 -140.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 1.0 110.133 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 10' ' ' LYS . 9.3 t 44.85 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.807 0.337 . . . . 1.0 110.569 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -35.41 118.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.47 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -47.24 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.17 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' MET . 29.4 m -50.44 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 1.0 110.031 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.4 m -95.0 99.41 11.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.302 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -37.14 148.72 0.19 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.709 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.0 Cg_endo -76.42 4.31 18.36 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.627 -1.822 . . . . 1.0 111.962 -0.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 9.5 mtp -56.33 122.08 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -125.79 153.66 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.16 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.46 111.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.134 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.509 ' CG2' ' HB2' ' A' ' 32' ' ' GLN . 15.6 t -105.56 150.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.446 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 2.1 t80 -107.81 137.1 46.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.27 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.76 -105.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.094 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.89 -72.71 0.11 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 26' ' ' ASN . 3.8 p90 -81.98 5.95 17.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.576 . . . . 1.0 109.953 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 1.6 m-80 -133.86 82.93 2.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.931 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 28.7 tt0 -60.59 -25.38 66.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.153 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.622 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 8.8 pt20 -58.87 -16.54 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.224 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.96 -170.53 0.04 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -156.31 159.96 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 1.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.8 m -74.56 126.13 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.509 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 96.0 mt-30 -149.72 143.24 25.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.388 . . . . 1.0 110.682 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 p -91.53 150.78 21.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.773 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.58 -34.5 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 1.0 109.996 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.499 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.7 -29.28 70.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.06 -16.2 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.99 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 86.3 mt -62.18 -36.79 82.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.931 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.02 -22.3 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.544 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.1 ptmm? -121.45 38.65 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.576 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -33.66 115.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.89 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.464 -0.779 . . . . 1.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.3 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' O ' ' HE3' ' A' ' 18' ' ' MET . . . -137.85 -162.14 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.822 0.344 . . . . 1.0 110.381 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -121.93 177.17 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.179 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' CB ' ' HD2' ' A' ' 5' ' ' ARG . 13.7 mtpp -67.82 149.91 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 71.89 17.46 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 2.5 m-80 -95.66 125.25 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.467 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.08 122.47 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.13 154.52 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.8 35.49 0.62 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLU . 11.6 mtmt 41.19 -153.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.325 . . . . 1.0 110.24 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m 65.08 -64.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' LYS . 1.8 mt-10 -114.65 133.72 55.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 10.3 t0 -59.12 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.202 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER 168.27 -170.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.296 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 62.3 m -93.5 92.45 7.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.49 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.4 p -35.15 146.72 0.17 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.544 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.8 Cg_endo -81.11 12.12 28.2 Favored 'Cis proline' 0 C--O 1.23 0.117 0 C-N-CA 122.74 -1.775 . . . . 1.0 112.146 0.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 15' ' ' CYS . 19.9 mtp -52.04 120.54 5.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.444 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' CG ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -124.51 135.88 53.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.953 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 11.4 t -48.41 110.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 32' ' ' GLN . 70.5 t -110.39 160.66 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.546 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 9.7 t80 -107.15 154.21 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.095 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -110.11 -103.45 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.195 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.39 -71.61 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.906 -0.405 . . . . 1.0 109.906 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -87.47 16.52 5.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.229 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.562 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 36.7 m-20 -150.29 93.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.891 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 19.1 tt0 -58.49 -30.16 66.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 25.5 pt20 -55.52 -19.52 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' TRP . . . 40.92 -160.12 0.02 OUTLIER Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.1 p -156.26 163.37 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 1.0 110.316 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 32.6 m -75.63 127.63 33.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' HB2' HG22 ' A' ' 21' ' ' VAL . 65.1 mt-30 -146.48 128.54 15.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.959 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 52.2 p -51.26 105.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.522 HG23 ' CG ' ' A' ' 19' ' ' LYS . 37.1 p -89.45 151.78 21.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.667 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.25 -34.17 59.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.086 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.482 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -63.44 -29.94 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -16.39 60.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.077 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -61.95 -36.99 83.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.599 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.68 -20.47 56.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.9 ptmt -127.46 39.97 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -31.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.889 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.443 -0.789 . . . . 1.0 110.484 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 6.7 t . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.962 0.41 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . . . -128.1 160.21 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.796 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 8.8 mptt -104.56 -178.0 3.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mtpt -69.1 142.71 54.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.14 12.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.53 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 5.4 m-80 -103.93 117.96 35.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.601 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.541 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.52 136.64 16.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.082 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -106.91 84.68 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.313 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.47 62.82 0.5 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -165.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 1.0 110.455 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -74.26 168.98 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.481 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 64.83 141.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.06 172.14 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.064 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 18' ' ' MET . 7.6 m -73.23 176.83 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.391 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 22.2 m -94.86 105.36 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.315 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 3.0 p -38.29 149.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.53 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.4 Cg_endo -76.96 5.04 19.51 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.595 -1.836 . . . . 1.0 111.716 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 1.5 mtp -62.76 130.45 44.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.31 154.16 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.933 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -63.35 121.43 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 91.2 t -115.49 157.72 16.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.063 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.1 t80 -108.48 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.489 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.97 -102.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.932 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -154.68 -76.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.462 -0.569 . . . . 1.0 109.462 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.6 p90 -81.27 4.94 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.172 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.5 m-80 -128.94 78.02 1.83 Allowed 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.203 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 44.4 tt0 -60.47 -15.17 24.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 1.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.541 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 13.6 pt20 -66.6 -9.26 33.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.535 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 48.24 -177.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.111 -0.795 . . . . 1.0 111.111 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -153.39 154.71 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.21 0.529 . . . . 1.0 110.535 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 2' ' ' ALA . 82.5 m -79.45 121.3 25.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.408 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -149.77 142.67 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -62.59 104.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.25 152.21 21.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.637 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.07 -34.31 62.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 1.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.484 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -63.74 -29.09 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -62.91 -16.77 60.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.0 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 53.2 mt -61.93 -38.76 89.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.052 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.609 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -60.47 -22.79 63.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.51 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -123.85 39.57 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.702 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.3 mmtt -33.84 112.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.57 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 5.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.314 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.24 165.79 24.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.56 174.64 5.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.102 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 5.6 mtpp -66.68 144.66 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.13 11.12 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.465 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -91.2 121.02 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.564 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 5.3 m0 -59.98 132.8 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.406 . . . . 1.0 110.437 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -81.06 48.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.602 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . -38.04 -94.79 0.01 OUTLIER Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.91 59.3 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 1.0 110.028 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 12' ' ' GLU . 30.2 m -142.97 147.18 34.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.131 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -127.07 66.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.511 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 14.8 t70 178.4 127.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 1.0 111.404 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 61.0 m -126.5 178.62 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 54.1 m -94.9 98.63 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.908 0.385 . . . . 1.0 110.41 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.3 p -37.39 148.7 0.2 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.719 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 45.4 Cg_endo -75.88 4.31 16.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.555 -1.852 . . . . 1.0 112.042 -0.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 15' ' ' CYS . 9.3 mtp -56.7 128.83 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.345 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 136.81 45.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.41 103.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.91 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 62.7 t -104.39 166.03 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -108.49 160.4 15.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.299 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.643 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -122.5 -105.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.038 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -165.78 -71.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 1.0 109.917 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.587 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 10.9 p90 -69.78 -6.68 33.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.311 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 4.7 p30 -141.62 87.27 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.794 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 6.8 tt0 -57.13 -18.48 15.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.564 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 21.1 pt20 -62.3 -11.75 16.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.623 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.99 -167.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -164.47 161.03 21.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.361 . . . . 1.0 110.631 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 77.8 m -68.4 118.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.219 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -146.54 133.15 19.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -53.87 165.05 0.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.308 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 p -150.37 151.89 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.497 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.56 -38.09 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.405 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.21 -24.46 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.17 62.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 1.0 109.98 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 36.0 mt -62.42 -37.04 84.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.972 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.628 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.6 -22.07 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.589 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.35 37.74 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.688 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.2 mmtt -36.41 116.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.759 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.468 -0.777 . . . . 1.0 110.505 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.774 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.65 178.18 4.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.149 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.7 mtpm? -67.44 143.39 56.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.439 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.12 18.22 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 30' ' ' SER . 6.5 m120 -98.84 124.87 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD1' ' CB ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -54.35 135.96 44.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.383 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' GLN . 51.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 18' ' ' MET . 5.8 m . . . . . 0 CA--C 1.522 -0.096 0 N-CA-C 109.814 -0.439 . . . . 1.0 109.814 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' H ' ' HE2' ' A' ' 18' ' ' MET . 26.2 m -97.58 102.13 13.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.44 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p -37.41 147.87 0.22 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.64 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.1 Cg_endo -77.33 6.98 19.33 Favored 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.725 -1.781 . . . . 1.0 112.163 0.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.774 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.5 mtp -60.65 126.0 25.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.671 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.775 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tttt -133.79 144.72 49.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.131 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 m -50.81 119.47 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 1.0 110.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LYS . 77.9 t -120.27 170.06 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.254 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' N ' HG12 ' A' ' 21' ' ' VAL . 6.7 t80 -113.07 146.37 39.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.794 0.33 . . . . 1.0 110.342 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -98.81 -102.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.05 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -152.74 -83.26 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -81.58 5.72 17.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.283 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' OD1' ' CE1' ' A' ' 25' ' ' TYR . 1.6 m120 -132.78 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.514 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.0 tt0 -51.59 -20.86 2.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.041 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' CB ' ' CD1' ' A' ' 7' ' ' TRP . 5.8 mm-40 -40.36 -33.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.287 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 63.3 169.91 1.35 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.563 -1.015 . . . . 1.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -148.58 152.68 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.134 0.492 . . . . 1.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 70.8 m -73.08 118.69 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.153 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -147.87 135.43 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 24.3 p -53.75 111.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 79.7 p -89.76 153.76 20.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.562 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.47 -42.43 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.082 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.433 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -62.65 -18.12 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.013 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 84.5 mt -62.03 -39.57 92.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.85 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -61.37 -21.63 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.588 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -125.48 39.43 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.852 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -34.45 112.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.749 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.445 -0.788 . . . . 1.0 110.321 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.115 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.755 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.53 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 1.0 109.962 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.4 mttp -68.87 146.32 52.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.448 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 76.25 11.77 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' SER . 6.5 m120 -93.4 121.93 35.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.545 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 6.7 m0 -52.54 128.35 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.592 ' H ' ' HE2' ' A' ' 18' ' ' MET . 28.6 m -98.39 100.66 11.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.499 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.2 p -38.41 147.41 0.26 Allowed Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.7 Cg_endo -77.54 8.69 18.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.789 -1.755 . . . . 1.0 112.566 0.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.755 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 11.1 mtp -60.42 128.54 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.656 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -136.53 148.86 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.209 179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.7 t -49.11 109.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 19' ' ' LYS . 51.7 t -110.82 166.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 27' ' ' GLU . 16.5 t80 -102.15 159.66 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.042 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.05 -105.29 0.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.215 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.11 -79.58 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.901 -0.407 . . . . 1.0 109.901 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -86.8 15.29 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.338 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 28.0 m-20 -142.69 90.28 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.703 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . 5.3 tt0 -57.58 -22.93 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.758 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 18.6 pt20 -59.72 -15.02 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 1.0 110.57 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 44.39 -167.31 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -156.39 160.5 39.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.403 . . . . 1.0 110.519 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 71.5 m -70.03 120.85 16.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.079 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -147.85 133.85 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.463 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 22.0 p -64.44 113.78 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.1 p -96.86 159.29 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.544 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -34.71 67.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.878 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.438 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.6 p -63.39 -19.67 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.1 -16.69 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 77.2 mt -62.41 -37.53 86.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.759 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.595 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.12 -22.13 66.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.505 179.417 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -128.94 37.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.762 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.12 112.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.757 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 10.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 1.0 110.238 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 C--O 1.232 0.142 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.606 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -113.57 -172.83 2.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.054 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' N ' ' SD ' ' A' ' 18' ' ' MET . 32.8 mtmt -70.38 148.34 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.146 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.58 4.48 2.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.476 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 30' ' ' SER . 6.4 m120 -89.37 176.77 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.682 -0.488 . . . . 1.0 109.682 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.676 ' CE2' ' NE2' ' A' ' 28' ' ' GLN . 7.1 m0 -91.26 149.83 21.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.669 0.271 . . . . 1.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.322 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.54 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 55.5 m -96.82 101.27 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 1.0 110.183 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -36.88 148.32 0.19 Allowed Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.951 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 33' ' ' SER . 47.4 Cg_endo -77.19 6.24 19.42 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 -1.814 . . . . 1.0 112.231 -0.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.606 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 50.4 mtm -54.93 121.25 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.543 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 ttpt -120.85 138.51 54.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.474 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.32 105.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.123 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 22' ' ' TYR . 78.5 t -104.91 166.54 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.628 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' N ' HG12 ' A' ' 21' ' ' VAL . 1.5 t80 -104.59 130.34 52.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.178 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.99 -102.73 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.035 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.51 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.435 -0.579 . . . . 1.0 109.435 179.324 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.629 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.7 p90 -83.06 7.63 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.033 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.629 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.4 m-80 -132.87 81.62 1.95 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.221 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 56.3 tt0 -60.0 -14.1 14.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.202 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.676 ' NE2' ' CE2' ' A' ' 7' ' ' TRP . 6.0 pt20 -71.41 -2.23 15.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.687 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.13 -175.28 0.02 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -151.95 158.87 43.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.889 0.376 . . . . 1.0 110.584 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.2 m -79.45 116.52 19.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.773 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -147.42 125.41 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.542 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HG2' ' A' ' 17' ' ' PRO . 3.1 p -61.65 113.24 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 26.2 p -94.28 154.71 17.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.576 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.35 -34.38 64.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.184 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.536 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -64.1 -28.63 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.4 -13.67 59.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.096 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.0 mt -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -63.71 -21.03 66.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 8.1 ptmt -124.85 36.99 4.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.474 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.0 mmtt -33.53 114.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.985 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.491 -0.766 . . . . 1.0 110.355 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.861 0.362 . . . . 1.0 110.222 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -105.0 -171.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.015 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mttp -70.73 147.15 49.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.31 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.98 4.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.895 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-80 -89.96 161.02 16.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.669 ' CE2' ' NE2' ' A' ' 28' ' ' GLN . 5.1 m0 -90.76 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.195 -0.298 . . . . 1.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 36.0 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 1.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.956 0.407 . . . . 1.0 110.216 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 51.2 m -97.73 99.05 10.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.12 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.519 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -37.05 149.35 0.18 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.1 Cg_endo -77.59 6.24 21.3 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.609 -1.829 . . . . 1.0 111.905 -0.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 38.5 mtm -54.71 118.73 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.629 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 135.76 54.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.899 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.31 118.98 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 1.0 110.23 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.495 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 t -108.3 156.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.142 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.92 125.93 49.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.967 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 -104.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.762 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -153.5 -74.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -82.07 5.03 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.923 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.581 ' OD1' ' NE2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -128.16 77.98 1.8 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.309 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -14.51 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.669 ' NE2' ' CE2' ' A' ' 7' ' ' TRP . 30.2 pt20 -71.64 -1.72 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 43.06 -171.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -156.78 158.01 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.174 0.512 . . . . 1.0 111.236 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.6 m -73.97 112.48 10.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.328 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -147.39 120.04 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.451 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -61.3 119.4 8.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.389 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.637 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.8 p -92.91 160.91 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.689 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.54 -43.85 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.198 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.8 p -63.08 -19.87 64.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.95 -15.78 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.242 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.56 -35.63 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.993 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -62.96 -18.78 63.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.791 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -127.61 38.95 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.818 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.28 102.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.799 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.7 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.506 -0.759 . . . . 1.0 110.46 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.624 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 175.76 5.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.3 mtmp? -65.33 145.07 56.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.91 0.386 . . . . 1.0 110.478 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.43 14.19 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.717 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -96.38 118.03 32.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.441 ' CZ2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -43.35 143.62 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.45 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 46.4 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.377 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m . . . . . 0 CA--C 1.52 -0.174 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -95.05 98.01 10.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.328 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -37.21 148.34 0.2 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.644 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.5 Cg_endo -78.1 7.29 22.56 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 -1.802 . . . . 1.0 112.019 0.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.624 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 8.0 mtp -58.88 125.73 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.9 ttmt -132.28 143.33 49.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.156 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.99 102.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 1.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.9 t -104.44 173.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.337 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.627 ' H ' HG12 ' A' ' 21' ' ' VAL . 16.6 t80 -105.87 156.71 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.045 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.43 -100.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.014 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -156.63 -76.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.924 -0.398 . . . . 1.0 109.924 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.556 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -88.95 19.12 4.3 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.207 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 48.4 m-20 -147.35 89.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 35.0 tt0 -58.87 -22.66 59.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -58.04 -16.32 12.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.426 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.57 -160.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -171.15 163.34 7.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 1.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -62.15 111.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.181 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.464 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 29.9 mt-30 -140.13 131.53 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.856 0.36 . . . . 1.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -54.23 150.75 8.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.97 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -143.49 152.57 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.95 -32.71 55.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.011 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.8 p -63.85 -28.84 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.04 -14.68 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.136 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 35.6 mt -62.37 -34.47 76.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.01 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.38 -21.98 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 5.3 pttp -126.66 37.74 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.587 -0.733 . . . . 1.0 109.569 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.38 100.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.832 -179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.458 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.5 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.47 -0.776 . . . . 1.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.733 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.4 OUTLIER -104.69 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 46.8 mtmt -67.67 148.12 51.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.3 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.52 8.8 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.593 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 6.6 m120 -93.41 119.38 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.462 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -46.28 156.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.457 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.8 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.483 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' MET . 27.7 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' H ' ' HE2' ' A' ' 18' ' ' MET . 57.2 m -95.1 102.75 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 1.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.532 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -38.55 149.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.616 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.8 Cg_endo -76.41 4.14 18.49 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.458 -1.892 . . . . 1.0 111.83 -0.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.733 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -57.93 124.29 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.285 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 ttmm -130.69 148.92 52.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 t -50.39 101.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 19' ' ' LYS . 80.8 t -104.26 165.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.467 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 21.4 t80 -108.37 159.03 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.325 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.637 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -119.5 -106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.252 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -166.28 -65.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 14.0 p90 -76.26 1.01 17.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -149.74 94.33 2.16 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.6 tt0 -57.49 -23.24 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.96 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -62.53 -12.23 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 1.0 110.659 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 42.43 -167.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -156.89 165.3 36.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.0 m -69.31 119.95 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.197 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -144.16 136.71 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.619 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.08 112.32 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.42 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 81.0 p -89.86 150.92 22.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.34 -36.89 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.156 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.516 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.33 -29.58 70.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -17.56 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.09 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.756 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 97.6 mt -60.92 -36.81 80.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.145 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.28 -26.62 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -122.41 37.99 4.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.619 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.756 ' NZ ' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -38.6 120.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.722 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 7.9 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.472 -0.775 . . . . 1.0 110.584 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 110.032 -0.359 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.691 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.58 178.91 4.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.927 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' CD ' ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -64.15 142.76 58.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.368 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.3 13.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.802 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.78 117.4 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.539 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.555 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.0 m0 -53.8 150.19 7.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.51 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.077 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.2 m . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 120.859 0.361 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 50.9 m -96.38 99.01 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.948 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.3 p -35.71 147.88 0.16 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.004 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 46.5 Cg_endo -76.83 4.47 19.63 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.536 -1.86 . . . . 1.0 111.709 0.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.691 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -60.17 132.19 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.565 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.112 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -53.72 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.322 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.5 t -105.02 165.55 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.588 ' N ' HG12 ' A' ' 21' ' ' VAL . 3.7 t80 -106.83 146.78 30.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.192 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -108.38 -111.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.076 -0.342 . . . . 1.0 110.076 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -150.69 -71.23 0.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.503 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -86.53 13.9 7.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.313 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 5.2 m-80 -141.91 80.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.106 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.533 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 38.3 tt0 -60.5 -16.77 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.737 0.303 . . . . 1.0 110.246 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -62.39 -12.45 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.261 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 48.5 178.61 0.01 OUTLIER Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -159.26 162.89 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 1.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.9 m -72.47 117.02 13.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -150.7 135.09 17.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.316 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 p -48.53 157.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 1.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 27.6 p -143.65 152.15 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 1.0 110.507 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.3 -39.75 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.3 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.53 -28.25 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.93 -15.45 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.016 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 88.3 mt -62.48 -35.8 80.49 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.855 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -63.23 -22.2 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.528 179.384 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -121.4 38.53 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.753 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.33 109.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.636 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.0 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.631 -0.699 . . . . 1.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.522 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.757 0.313 . . . . 1.0 110.268 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.599 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -107.77 -172.68 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.138 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 19.7 mttp -69.18 148.26 50.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.186 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.24 6.35 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.467 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 6.3 m120 -89.78 174.98 7.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.186 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.458 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 4.4 m0 -95.26 149.29 21.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.387 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.0 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.466 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 CA--C 1.519 -0.224 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 57.6 m -95.59 101.74 13.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.948 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 7.9 p -37.18 149.32 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.816 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.6 Cg_endo -77.74 5.95 22.3 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.577 -1.843 . . . . 1.0 111.859 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.599 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 41.7 mtm -53.95 119.52 5.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.384 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -111.34 138.66 47.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.219 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.75 104.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' LYS . 9.6 t -104.12 164.65 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.396 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 23.5 t80 -102.75 160.3 14.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.144 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.631 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -118.23 -99.93 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.132 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.65 -79.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -86.13 12.86 8.76 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 12.7 m-20 -136.52 85.48 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.971 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.591 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 33.0 tt0 -59.34 -23.31 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.462 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 28.4 pt20 -59.26 -15.1 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.84 -173.63 0.1 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -143.26 161.23 38.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 1.0 110.461 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 83.7 m -82.18 114.98 21.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.112 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.13 125.37 11.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.83 0.347 . . . . 1.0 110.536 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -45.72 161.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.912 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 75.7 p -142.41 157.09 45.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 1.0 110.478 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -60.84 -41.57 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.5 p -64.35 -23.63 67.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.57 -17.39 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.852 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 38' ' ' LEU . 76.7 mt -62.02 -39.11 91.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.911 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -59.43 -21.64 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.611 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -131.51 41.52 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.741 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.88 95.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.665 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.6 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.481 -0.771 . . . . 1.0 110.437 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.525 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.831 0.348 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 1.4 mptp? -105.62 -171.65 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.512 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.1 mtmm -74.77 155.25 37.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 73.84 5.04 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.802 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -91.74 117.29 29.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 1.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.594 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 10.7 m0 -43.37 148.44 0.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.358 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 62.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.241 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 120.802 0.334 . . . . 1.0 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 73.5 m -91.69 97.7 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.462 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -34.19 146.93 0.13 Allowed Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.804 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 45.8 Cg_endo -81.01 11.25 29.59 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.816 -1.743 . . . . 1.0 112.074 0.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 29.6 mtm -54.03 120.06 5.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.7 ttpt -124.3 144.35 50.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 43.8 t -59.55 115.98 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.096 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 50.2 t -113.06 161.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.503 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.9 t80 -108.22 139.85 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.13 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.42 -103.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.13 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.34 -75.31 0.08 Allowed 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 179.47 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.3 p90 -79.77 4.25 16.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.36 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m-20 -135.98 82.3 1.94 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.153 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 19.1 tt0 -59.3 -15.83 18.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.594 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.8 pt20 -62.74 -12.16 22.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.371 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 44.67 -175.43 0.01 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -158.4 163.93 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.465 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.9 m -76.2 126.43 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.977 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 34' ' ' THR . 63.9 mt-30 -150.58 126.4 10.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.164 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.32 100.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 109.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 32' ' ' GLN . 5.0 p -89.81 158.84 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.736 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.15 -33.41 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.979 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.526 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.86 -28.55 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.75 -15.33 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.03 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -62.35 -35.19 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.983 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.45 -21.13 63.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.534 179.476 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.61 38.51 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.607 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.1 112.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.929 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 13.9 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.771 . . . . 1.0 110.343 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.826 0.346 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -110.62 -172.68 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.847 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 25.7 mtmm -67.08 154.33 41.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.164 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.37 1.88 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.754 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -89.76 116.64 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 1.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.573 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 13.1 m0 -41.28 139.65 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 18.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 62.7 m -93.67 103.78 15.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.3 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.482 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.7 p -38.56 150.04 0.21 Allowed Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.81 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.9 Cg_endo -78.03 7.85 21.48 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.618 -1.826 . . . . 1.0 112.129 -0.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 50.9 mtm -55.68 124.3 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.81 143.61 51.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.17 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.4 104.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.1 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 19' ' ' LYS . 22.6 t -104.82 162.61 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 5.2 t80 -103.22 151.22 22.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.049 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.7 -106.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.153 -0.314 . . . . 1.0 110.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.81 -69.17 0.09 Allowed 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -86.33 14.12 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 12.6 m-20 -148.13 91.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 36.5 tt0 -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.213 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 16.7 pt20 -61.07 -14.12 21.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.311 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.66 -167.1 0.05 OUTLIER Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.077 -0.809 . . . . 1.0 111.077 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -153.63 163.84 39.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.897 0.379 . . . . 1.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 62.9 m -73.66 120.99 20.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' HG21 ' A' ' 21' ' ' VAL . 71.6 mt-30 -147.92 127.71 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 21.9 p -58.61 163.51 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.055 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p -144.56 155.72 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.602 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.4 -41.15 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.244 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.9 p -64.07 -20.27 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -67.18 -14.07 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.165 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 80.2 mt -62.88 -32.53 73.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.821 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -63.22 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.614 179.498 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 14.8 pttp -126.63 38.31 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.572 -0.74 . . . . 1.0 109.68 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -37.16 114.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.723 -179.532 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.488 -0.767 . . . . 1.0 110.415 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.727 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 7.4 mtmt -104.5 171.61 7.24 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -64.99 151.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.258 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.16 5.32 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.846 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -89.38 118.1 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 4.8 m0 -50.25 152.43 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.612 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.347 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' H ' ' HE2' ' A' ' 18' ' ' MET . 35.4 m -96.72 101.84 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.901 0.381 . . . . 1.0 110.782 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -39.71 148.41 0.3 Allowed Pre-proline 0 N--CA 1.462 0.13 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.568 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.1 Cg_endo -77.24 8.78 17.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 -1.788 . . . . 1.0 112.469 0.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.727 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.7 mtp -62.12 131.53 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 1.0 110.279 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -143.86 156.54 44.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.3 t -53.7 105.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.3 t -105.83 165.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.595 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 1.9 t80 -114.47 135.54 54.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.376 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.52 -105.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.102 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.59 -73.45 0.11 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.494 -0.558 . . . . 1.0 109.494 179.465 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.4 p90 -84.52 9.24 14.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.032 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.9 m-80 -136.15 84.32 2.07 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.4 tt0 -59.34 -22.0 60.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.599 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.6 pt20 -59.08 -22.0 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 51.05 -165.6 0.74 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -169.98 160.66 8.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 1.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 63.1 m -64.62 119.05 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.953 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.661 ' HB2' HG21 ' A' ' 21' ' ' VAL . 93.6 mt-30 -147.53 136.47 22.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.238 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -56.53 161.83 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.221 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.4 p -150.35 149.68 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.29 -35.04 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.34 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.18 -15.29 59.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.079 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 60.9 mt -62.61 -36.0 81.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.024 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.2 -21.71 66.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -127.11 38.48 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.543 179.422 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.01 116.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.938 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 13.4 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.437 -0.792 . . . . 1.0 110.351 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 110.079 -0.341 . . . . 1.0 110.079 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.704 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.55 179.5 4.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 1.0 109.986 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -65.38 143.48 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.389 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.98 12.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.697 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 6.5 m120 -95.97 117.76 31.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.482 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 5.5 m0 -53.81 148.88 9.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.945 0.402 . . . . 1.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.136 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.5 m . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.988 0.423 . . . . 1.0 109.977 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 55.0 m -95.87 98.9 10.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.879 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.7 p -35.75 147.93 0.16 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.983 -179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 47.1 Cg_endo -76.49 4.23 18.67 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.555 -1.852 . . . . 1.0 111.799 0.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.704 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.0 mtp -60.19 133.21 55.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.573 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.72 147.24 37.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.148 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 t -52.87 103.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.118 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 19' ' ' LYS . 94.9 t -108.76 167.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.499 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -105.97 157.93 17.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.992 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.627 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -114.15 -100.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.139 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.93 -79.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.975 -0.379 . . . . 1.0 109.975 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -86.12 13.49 7.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.404 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.0 m-20 -139.29 83.43 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.351 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.1 tt0 -58.59 -16.98 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -58.2 -16.61 14.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.223 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 46.59 -178.9 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -157.39 161.07 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 1.0 110.614 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 m -70.76 117.24 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.221 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -150.33 136.14 18.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.336 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 p -48.38 158.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.2 p -143.92 151.71 40.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -60.36 -39.96 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.234 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.492 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -64.56 -27.97 69.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -66.09 -15.41 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.007 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 90.5 mt -62.72 -35.35 79.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.081 -0.508 . . . . 1.0 109.794 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.615 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.28 -21.71 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.547 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -122.23 38.65 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.741 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.48 109.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.58 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 7.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.545 -0.741 . . . . 1.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.642 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.75 -178.94 3.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.058 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 24.4 mtmm -71.5 143.1 50.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.371 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 80.45 -4.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.736 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -94.83 123.05 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.57 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.9 m0 -40.03 157.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.21 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 1.0 110.269 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 CA--C 1.519 -0.224 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 63.8 m -94.1 95.69 9.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.025 0.441 . . . . 1.0 110.122 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 9.8 p -34.8 147.05 0.14 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.971 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 45.9 Cg_endo -75.35 3.16 15.56 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.45 -1.896 . . . . 1.0 111.872 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.642 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.8 mtp -58.74 135.53 57.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.9 tttp -133.53 146.07 50.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.037 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.1 105.23 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 22' ' ' TYR . 97.5 t -104.54 166.17 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.153 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 17.6 t80 -105.81 157.55 17.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.282 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.593 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -112.62 -101.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.176 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.7 -76.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.843 -0.429 . . . . 1.0 109.843 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.3 p90 -88.53 17.76 5.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.136 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 9.5 m-20 -145.18 89.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.069 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 36.0 tt0 -58.65 -24.86 62.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.518 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 28.4 pt20 -57.93 -16.72 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 43.03 -164.25 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.442 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -156.38 165.25 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 1.0 110.355 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 88.9 m -77.74 119.8 21.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.983 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 4.4 mt-30 -139.68 136.98 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0 110.565 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -64.65 110.04 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.273 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.7 p -95.38 151.9 18.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.61 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.73 -33.27 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.012 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.551 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 96.9 p -63.52 -28.73 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.12 -15.74 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.078 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 29.9 mt -61.94 -35.66 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.138 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.2 -21.03 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.686 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -130.37 40.94 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.806 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.2 tptm -33.59 101.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.775 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.4 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.512 -0.756 . . . . 1.0 110.344 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 CA--C 1.523 -0.094 0 N-CA-C 110.048 -0.352 . . . . 1.0 110.048 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.698 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.62 -177.49 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.977 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 12.7 mttm -69.61 142.06 53.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.468 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 76.71 15.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -101.57 117.69 35.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 1.0 110.491 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.654 ' CE2' ' NE2' ' A' ' 28' ' ' GLN . 4.5 m0 -40.99 137.13 1.31 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 1.0 110.515 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' GLN . 5.3 t . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 18' ' ' MET . 77.0 m . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 120.916 0.389 . . . . 1.0 109.986 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' CYS . 55.5 m -95.25 98.73 10.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.993 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.506 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 6.9 p -36.11 148.8 0.15 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.638 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.654 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.5 Cg_endo -77.96 7.32 21.88 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.584 -1.84 . . . . 1.0 112.042 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.698 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 3.6 mtp -62.14 127.06 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -131.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.023 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 m -49.27 109.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.907 -0.405 . . . . 1.0 109.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 19' ' ' LYS . 53.5 t -104.32 162.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.255 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' HG12 ' A' ' 21' ' ' VAL . 2.5 t80 -108.97 138.63 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.297 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.48 -106.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.02 -70.79 0.1 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.465 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -85.92 13.21 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.168 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 6.5 m-20 -144.04 87.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 34.3 tt0 -59.82 -20.66 58.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.384 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.654 ' NE2' ' CE2' ' A' ' 7' ' ' TRP . 29.4 pt20 -62.65 -12.76 25.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.472 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.05 -159.66 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -170.51 156.33 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.452 . . . . 1.0 110.728 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 80.8 m -64.56 113.69 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.266 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.625 ' HB2' HG21 ' A' ' 21' ' ' VAL . 40.3 mt-30 -145.46 130.74 18.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.228 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -56.45 169.33 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.7 p -150.31 156.8 42.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.76 -38.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.856 0.36 . . . . 1.0 110.094 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.59 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 17' ' ' PRO . . . -63.17 -17.74 62.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.982 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 87.8 mt -61.99 -37.9 86.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.043 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.27 -21.97 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 39.37 3.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.652 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE3' HD23 ' A' ' 38' ' ' LEU . 3.9 tttt -42.27 110.51 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.679 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.506 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.466 -0.778 . . . . 1.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.523 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.885 0.374 . . . . 1.0 110.674 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 3.0 mmmm -107.55 -170.64 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.96 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 10.0 mttt -73.81 155.42 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 1.0 110.28 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.84 3.61 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.684 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -89.8 119.04 29.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 1.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 9.3 m0 -45.86 144.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.626 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 11.7 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.433 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' MET . 16.7 m . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.856 0.36 . . . . 1.0 110.185 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 95.8 m -92.68 100.11 12.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.252 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.9 p -36.57 148.49 0.18 Allowed Pre-proline 0 CA--C 1.52 -0.202 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.031 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 45.7 Cg_endo -78.23 8.55 21.42 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.667 -1.806 . . . . 1.0 112.325 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.523 ' CE ' ' O ' ' A' ' 2' ' ' ALA . 41.7 mtm -55.4 119.06 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 144.32 44.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.62 105.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.998 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 23.4 t -104.63 157.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.489 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -107.61 155.7 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.134 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.635 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -120.74 -104.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -162.75 -81.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 1.0 110.214 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 1.4 p90 -58.68 -16.87 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.087 0.47 . . . . 1.0 110.124 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.3 p30 -129.41 84.41 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.72 -0.673 . . . . 1.0 109.551 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -55.98 -21.23 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.493 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.1 pt20 -59.28 -13.02 6.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.645 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.44 -172.69 0.11 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -151.49 161.96 41.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.91 0.386 . . . . 1.0 110.162 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -77.45 120.75 22.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -147.67 127.28 13.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 1.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 33.6 p -62.22 116.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.181 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.0 p -100.01 159.58 14.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.539 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.02 -33.4 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.918 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.521 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.1 p -63.84 -29.3 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.91 -16.05 60.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.698 . . . . 1.0 109.983 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.3 mt -62.28 -36.72 82.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.984 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.61 -21.12 64.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 1.0 109.618 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.5 ptmm? -124.51 39.46 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.95 113.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.904 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 20.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.397 -0.811 . . . . 1.0 110.378 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.798 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 173.43 6.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.0 mtmp? -64.08 145.15 56.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.16 8.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -95.18 118.33 31.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 1.0 110.45 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 8.9 m0 -50.77 142.94 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.441 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' H ' ' HE2' ' A' ' 18' ' ' MET . 22.4 m -97.0 101.8 13.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.403 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.461 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.1 p -38.05 149.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.528 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -77.52 5.93 21.29 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 -1.805 . . . . 1.0 112.004 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.798 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mtp -58.35 125.52 23.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.352 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.9 ttmt -133.12 146.43 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.208 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.81 101.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 1.0 109.964 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.7 t -104.51 166.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 18.6 t80 -103.34 159.24 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.055 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -115.37 -100.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.55 -79.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.539 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -86.0 13.68 7.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.294 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.45 ' OD1' ' CE1' ' A' ' 25' ' ' TYR . 1.6 m120 -139.89 86.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.987 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 31.9 tt0 -58.52 -20.9 50.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 2.5 pt20 -59.22 -18.87 40.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.8 -166.58 0.08 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -164.65 162.66 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 1.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 64.6 m -68.78 116.27 9.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.051 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mt-30 -144.69 135.7 24.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 p -54.62 157.24 3.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -148.59 150.51 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.509 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.75 -34.04 60.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.102 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.88 -28.67 70.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.14 -14.75 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.121 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 50.6 mt -62.39 -34.09 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 1.0 109.969 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -62.73 -22.44 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 11.0 pttp -126.05 39.08 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.674 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.89 104.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.733 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.1 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.718 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 13.8 mmtt -104.49 179.2 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.0 109.999 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -70.8 147.89 48.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.26 -7.54 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.686 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 14.4 m120 -89.89 122.75 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.221 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.478 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.0 m0 -44.08 165.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 1.0 110.773 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.52 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 18' ' ' MET . 29.4 m . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.882 0.372 . . . . 1.0 110.031 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' H ' ' HE2' ' A' ' 18' ' ' MET . 51.4 m -95.0 99.41 11.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.302 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -37.14 148.72 0.19 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.709 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.0 Cg_endo -76.42 4.31 18.36 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.627 -1.822 . . . . 1.0 111.962 -0.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.718 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.5 mtp -56.33 122.08 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.0 tttp -125.79 153.66 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.16 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.46 111.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.134 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 32' ' ' GLN . 15.6 t -105.56 150.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.446 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 2.1 t80 -107.81 137.1 46.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.27 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.76 -105.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.094 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.89 -72.71 0.11 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.387 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 26' ' ' ASN . 3.8 p90 -81.98 5.95 17.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.576 . . . . 1.0 109.953 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 1.6 m-80 -133.86 82.93 2.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.931 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 28.7 tt0 -60.59 -25.38 66.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.153 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' NE2' ' OD1' ' A' ' 26' ' ' ASN . 29.4 pt20 -58.87 -16.54 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.224 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.96 -170.53 0.04 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -156.31 159.96 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 1.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.8 m -74.56 126.13 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.898 ' HB2' HG21 ' A' ' 21' ' ' VAL . 96.0 mt-30 -149.72 143.24 25.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.388 . . . . 1.0 110.682 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.3 p -91.53 150.78 21.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.773 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.58 -34.5 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 1.0 109.996 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.7 -29.28 70.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.06 -16.2 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.99 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 86.3 mt -62.18 -36.79 82.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.931 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.02 -22.3 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.544 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.1 ptmm? -121.45 38.65 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.576 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -33.66 115.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.89 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.464 -0.779 . . . . 1.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.564 ' O ' ' HE1' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.822 0.344 . . . . 1.0 110.381 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -121.93 177.17 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.179 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CB ' ' HD2' ' A' ' 5' ' ' ARG . 13.7 mtpp -67.82 149.91 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HD2' ' CB ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 71.89 17.46 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' SER . 4.8 m120 -95.66 125.25 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.467 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.654 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -49.08 122.47 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.275 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 120.953 0.406 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.679 ' H ' ' HE2' ' A' ' 18' ' ' MET . 62.3 m -93.5 92.45 7.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.49 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.4 p -35.15 146.72 0.17 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.544 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.8 Cg_endo -81.11 12.12 28.2 Favored 'Cis proline' 0 C--O 1.23 0.117 0 C-N-CA 122.74 -1.775 . . . . 1.0 112.146 0.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.679 ' HE2' ' H ' ' A' ' 15' ' ' CYS . 19.9 mtp -52.04 120.54 5.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.444 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -124.51 135.88 53.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.953 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 11.4 t -48.41 110.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 19' ' ' LYS . 70.5 t -110.39 160.66 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.546 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 9.7 t80 -107.15 154.21 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.095 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -110.11 -103.45 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.195 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.39 -71.61 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.906 -0.405 . . . . 1.0 109.906 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.479 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -87.47 16.52 5.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.229 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.42 HD21 ' HA ' ' A' ' 26' ' ' ASN . 1.9 m120 -150.29 93.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.891 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 19.1 tt0 -58.49 -30.16 66.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.654 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 5.3 pt20 -55.52 -19.52 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' TRP . . . 40.92 -160.12 0.02 OUTLIER Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.1 p -156.26 163.37 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 1.0 110.316 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 32.6 m -75.63 127.63 33.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 21' ' ' VAL . 65.1 mt-30 -146.48 128.54 15.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.959 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.497 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 52.2 p -51.26 105.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 19' ' ' LYS . 37.1 p -89.45 151.78 21.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.667 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.25 -34.17 59.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.086 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.495 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -63.44 -29.94 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -16.39 60.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.077 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -61.95 -36.99 83.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.599 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.68 -20.47 56.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.9 ptmt -127.46 39.97 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -31.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.889 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.443 -0.789 . . . . 1.0 110.484 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 8.8 mptt -104.56 -178.0 3.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mtpt -69.1 142.71 54.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.14 12.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.53 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 7.9 m120 -103.93 117.96 35.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.601 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.695 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -49.52 136.64 16.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.082 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.313 -179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' MET . 7.6 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.884 0.373 . . . . 1.0 110.391 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 18' ' ' MET . 22.2 m -94.86 105.36 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.315 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.465 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.0 p -38.29 149.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.53 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.4 Cg_endo -76.96 5.04 19.51 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.595 -1.836 . . . . 1.0 111.716 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.468 ' SD ' ' HG3' ' A' ' 4' ' ' LYS . 1.5 mtp -62.76 130.45 44.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.31 154.16 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.933 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -63.35 121.43 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 91.2 t -115.49 157.72 16.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.063 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.1 t80 -108.48 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.489 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.97 -102.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.932 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -154.68 -76.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.462 -0.569 . . . . 1.0 109.462 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.6 p90 -81.27 4.94 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.172 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.5 m-80 -128.94 78.02 1.83 Allowed 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.203 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 44.4 tt0 -60.47 -15.17 24.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 1.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.695 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 16.4 pt20 -66.6 -9.26 33.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.535 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 48.24 -177.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.111 -0.795 . . . . 1.0 111.111 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -153.39 154.71 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.21 0.529 . . . . 1.0 110.535 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 82.5 m -79.45 121.3 25.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.408 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -149.77 142.67 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -62.59 104.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 40.2 p -90.25 152.21 21.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.637 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.07 -34.31 62.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 1.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.497 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -63.74 -29.09 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.91 -16.77 60.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.0 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 53.2 mt -61.93 -38.76 89.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.052 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.609 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -60.47 -22.79 63.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.51 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -123.85 39.57 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.702 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.3 mmtt -33.84 112.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.57 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 5.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.314 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.1 -0.333 . . . . 1.0 110.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.742 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.56 174.64 5.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.102 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 5.6 mtpp -66.68 144.66 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.13 11.12 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.465 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 5.8 m120 -91.2 121.02 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.564 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 5.3 m0 -59.98 132.8 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.406 . . . . 1.0 110.437 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' H ' ' HE2' ' A' ' 18' ' ' MET . 54.1 m -94.9 98.63 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.908 0.385 . . . . 1.0 110.41 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.485 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.3 p -37.39 148.7 0.2 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.719 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 45.4 Cg_endo -75.88 4.31 16.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.555 -1.852 . . . . 1.0 112.042 -0.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.742 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.3 mtp -56.7 128.83 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.345 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -133.47 136.81 45.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.41 103.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.91 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 19' ' ' LYS . 62.7 t -104.39 166.03 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -108.49 160.4 15.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.299 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.643 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -122.5 -105.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.038 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -165.78 -71.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 1.0 109.917 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.586 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 10.9 p90 -69.78 -6.68 33.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.311 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 4.7 p30 -141.62 87.27 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.794 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 6.8 tt0 -57.13 -18.48 15.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.564 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 21.1 pt20 -62.3 -11.75 16.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.623 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.99 -167.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -164.47 161.03 21.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.361 . . . . 1.0 110.631 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 77.8 m -68.4 118.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.219 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -146.54 133.15 19.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -53.87 165.05 0.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.308 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 19.8 p -150.37 151.89 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.497 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.56 -38.09 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.405 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.21 -24.46 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.75 -16.17 62.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 1.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 36.0 mt -62.42 -37.04 84.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.972 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.628 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.6 -22.07 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.589 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.35 37.74 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.688 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.2 mmtt -36.41 116.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.759 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.468 -0.777 . . . . 1.0 110.505 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 6.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.865 0.364 . . . . 1.0 110.092 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.41 161.95 30.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.874 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.774 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.65 178.18 4.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.149 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.7 mtpm? -67.44 143.39 56.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.439 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.12 18.22 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 30' ' ' SER . 6.5 m120 -98.84 124.87 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD1' ' CB ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -54.35 135.96 44.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.383 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' GLN . 51.9 t -102.71 155.22 18.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.181 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.05 -123.93 0.69 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.647 -0.981 . . . . 1.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 134.62 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -174.03 -47.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.977 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.31 153.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.783 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 18' ' ' MET . 5.8 m -107.81 -175.75 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.814 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' H ' ' HE2' ' A' ' 18' ' ' MET . 26.2 m -97.58 102.13 13.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.44 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p -37.41 147.87 0.22 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.64 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.1 Cg_endo -77.33 6.98 19.33 Favored 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.725 -1.781 . . . . 1.0 112.163 0.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.774 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.5 mtp -60.65 126.0 25.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.671 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.775 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tttt -133.79 144.72 49.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.131 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 m -50.81 119.47 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 1.0 110.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LYS . 77.9 t -120.27 170.06 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.254 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' N ' HG12 ' A' ' 21' ' ' VAL . 6.7 t80 -113.07 146.37 39.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.794 0.33 . . . . 1.0 110.342 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -98.81 -102.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.05 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -152.74 -83.26 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -81.58 5.72 17.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.283 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' OD1' ' CE1' ' A' ' 25' ' ' TYR . 1.6 m120 -132.78 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.514 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.0 tt0 -51.59 -20.86 2.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.041 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' CB ' ' CD1' ' A' ' 7' ' ' TRP . 5.8 mm-40 -40.36 -33.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.287 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 63.3 169.91 1.35 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.563 -1.015 . . . . 1.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -148.58 152.68 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.134 0.492 . . . . 1.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 70.8 m -73.08 118.69 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.153 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -147.87 135.43 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 24.3 p -53.75 111.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 79.7 p -89.76 153.76 20.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.562 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.47 -42.43 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.082 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.433 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -62.65 -18.12 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.013 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 84.5 mt -62.03 -39.57 92.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.85 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -61.37 -21.63 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.588 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -125.48 39.43 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.852 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -34.45 112.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.749 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.445 -0.788 . . . . 1.0 110.321 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.09 162.63 28.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.939 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.755 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.53 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 1.0 109.962 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.4 mttp -68.87 146.32 52.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.448 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 76.25 11.77 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' SER . 6.5 m120 -93.4 121.93 35.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.545 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 6.7 m0 -52.54 128.35 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -173.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.3 -144.78 15.35 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.321 -1.112 . . . . 1.0 110.321 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.4 tttp -61.37 -73.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' LYS . 40.3 p 33.89 -150.8 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.42 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -147.94 66.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 1.0 110.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.44 150.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.753 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 8.7 m -86.52 -175.25 5.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 1.0 109.966 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' H ' ' HE2' ' A' ' 18' ' ' MET . 28.6 m -98.39 100.66 11.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.499 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.2 p -38.41 147.41 0.26 Allowed Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.7 Cg_endo -77.54 8.69 18.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.789 -1.755 . . . . 1.0 112.566 0.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.755 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 11.1 mtp -60.42 128.54 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.656 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -136.53 148.86 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.209 179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.7 t -49.11 109.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 19' ' ' LYS . 51.7 t -110.82 166.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 27' ' ' GLU . 16.5 t80 -102.15 159.66 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.042 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.05 -105.29 0.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.215 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.11 -79.58 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.901 -0.407 . . . . 1.0 109.901 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -86.8 15.29 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.338 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 28.0 m-20 -142.69 90.28 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.703 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . 5.3 tt0 -57.58 -22.93 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.758 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 18.6 pt20 -59.72 -15.02 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 1.0 110.57 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 44.39 -167.31 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -156.39 160.5 39.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.403 . . . . 1.0 110.519 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 71.5 m -70.03 120.85 16.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.079 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -147.85 133.85 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.463 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 22.0 p -64.44 113.78 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.1 p -96.86 159.29 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.544 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -34.71 67.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.878 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.438 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.6 p -63.39 -19.67 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.1 -16.69 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 77.2 mt -62.41 -37.53 86.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.759 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.595 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.12 -22.13 66.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.505 179.417 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -128.94 37.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.762 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.12 112.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.757 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 10.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 1.0 110.238 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.548 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.5 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -144.64 -169.81 3.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.098 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.606 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -113.57 -172.83 2.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.054 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' N ' ' SD ' ' A' ' 18' ' ' MET . 32.8 mtmt -70.38 148.34 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.146 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.58 4.48 2.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.476 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 30' ' ' SER . 6.4 m120 -89.37 176.77 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.682 -0.488 . . . . 1.0 109.682 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.676 ' CE2' ' NE2' ' A' ' 28' ' ' GLN . 7.1 m0 -91.26 149.83 21.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.669 0.271 . . . . 1.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t -36.15 133.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.322 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 10' ' ' LYS . . . -64.65 -79.92 0.16 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 80.58 -52.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 1.0 109.94 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -49.84 -50.58 44.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.938 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 41.3 mm-40 -137.31 -60.75 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.407 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 156.86 134.64 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.431 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 72.9 m -48.43 175.02 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.5 m -96.82 101.27 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 1.0 110.183 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -36.88 148.32 0.19 Allowed Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.951 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 33' ' ' SER . 47.4 Cg_endo -77.19 6.24 19.42 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 -1.814 . . . . 1.0 112.231 -0.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.606 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 50.4 mtm -54.93 121.25 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.543 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 ttpt -120.85 138.51 54.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.474 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.32 105.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.123 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 22' ' ' TYR . 78.5 t -104.91 166.54 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.628 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' N ' HG12 ' A' ' 21' ' ' VAL . 1.5 t80 -104.59 130.34 52.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.178 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.99 -102.73 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.035 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.51 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.435 -0.579 . . . . 1.0 109.435 179.324 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.629 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.7 p90 -83.06 7.63 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.033 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.629 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.4 m-80 -132.87 81.62 1.95 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.221 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 56.3 tt0 -60.0 -14.1 14.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.202 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.676 ' NE2' ' CE2' ' A' ' 7' ' ' TRP . 6.0 pt20 -71.41 -2.23 15.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.687 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.13 -175.28 0.02 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -151.95 158.87 43.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.889 0.376 . . . . 1.0 110.584 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.2 m -79.45 116.52 19.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.773 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -147.42 125.41 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.542 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HG2' ' A' ' 17' ' ' PRO . 3.1 p -61.65 113.24 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 26.2 p -94.28 154.71 17.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.576 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.35 -34.38 64.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.184 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.536 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -64.1 -28.63 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.4 -13.67 59.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.096 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.0 mt -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -63.71 -21.03 66.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 8.1 ptmt -124.85 36.99 4.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.474 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.0 mmtt -33.53 114.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.985 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.491 -0.766 . . . . 1.0 110.355 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -146.07 -175.98 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.222 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -105.0 -171.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.015 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mttp -70.73 147.15 49.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.31 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.98 4.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.895 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-80 -89.96 161.02 16.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.669 ' CE2' ' NE2' ' A' ' 28' ' ' GLN . 5.1 m0 -90.76 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.195 -0.298 . . . . 1.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 36.0 m -71.42 -164.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 1.0 110.528 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' LYS . . . -179.23 38.75 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 9' ' ' GLY . 3.3 ttpp 67.1 -79.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 1.0 110.182 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 4.8 t -63.31 160.61 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.18 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 65.07 114.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.48 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.99 42.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 76.6 m 54.25 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.216 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.2 m -97.73 99.05 10.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.12 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.519 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -37.05 149.35 0.18 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.1 Cg_endo -77.59 6.24 21.3 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.609 -1.829 . . . . 1.0 111.905 -0.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 38.5 mtm -54.71 118.73 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.629 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 135.76 54.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.899 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.31 118.98 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 1.0 110.23 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.495 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 t -108.3 156.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.142 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.92 125.93 49.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.967 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 -104.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.762 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -153.5 -74.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -82.07 5.03 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.923 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.581 ' OD1' ' NE2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -128.16 77.98 1.8 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.309 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -14.51 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.669 ' NE2' ' CE2' ' A' ' 7' ' ' TRP . 30.2 pt20 -71.64 -1.72 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 43.06 -171.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -156.78 158.01 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.174 0.512 . . . . 1.0 111.236 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.6 m -73.97 112.48 10.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.328 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -147.39 120.04 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.451 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -61.3 119.4 8.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.389 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.637 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.8 p -92.91 160.91 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.689 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.54 -43.85 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.198 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.8 p -63.08 -19.87 64.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.95 -15.78 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.242 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.56 -35.63 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.993 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -62.96 -18.78 63.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.791 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -127.61 38.95 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.818 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.28 102.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.799 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.7 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.506 -0.759 . . . . 1.0 110.46 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.23 168.32 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 1.0 109.991 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.624 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 175.76 5.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.3 mtmp? -65.33 145.07 56.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.91 0.386 . . . . 1.0 110.478 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.43 14.19 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.717 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -96.38 118.03 32.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.441 ' CZ2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -43.35 143.62 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.45 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 46.4 t -101.45 -55.96 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.79 79.43 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.2 OUTLIER 60.58 -161.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 110.353 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 10' ' ' LYS . 28.8 p 44.12 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -160.43 136.43 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.377 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.3 m-20 164.7 97.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 1.0 111.001 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 62.1 m -135.54 176.69 8.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.781 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.9 m -95.05 98.01 10.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.328 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -37.21 148.34 0.2 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.644 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.5 Cg_endo -78.1 7.29 22.56 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 -1.802 . . . . 1.0 112.019 0.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.624 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 8.0 mtp -58.88 125.73 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.9 ttmt -132.28 143.33 49.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.156 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.99 102.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 1.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.9 t -104.44 173.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.337 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.627 ' H ' HG12 ' A' ' 21' ' ' VAL . 16.6 t80 -105.87 156.71 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.045 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.43 -100.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.014 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -156.63 -76.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.924 -0.398 . . . . 1.0 109.924 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -88.95 19.12 4.3 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.207 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 48.4 m-20 -147.35 89.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 35.0 tt0 -58.87 -22.66 59.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -58.04 -16.32 12.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.426 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.57 -160.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -171.15 163.34 7.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 1.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -62.15 111.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.181 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 29.9 mt-30 -140.13 131.53 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.856 0.36 . . . . 1.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -54.23 150.75 8.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.97 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -143.49 152.57 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.95 -32.71 55.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.011 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.8 p -63.85 -28.84 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.04 -14.68 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.136 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 35.6 mt -62.37 -34.47 76.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.01 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.38 -21.98 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 5.3 pttp -126.66 37.74 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.587 -0.733 . . . . 1.0 109.569 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.38 100.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.832 -179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.5 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.47 -0.776 . . . . 1.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.23 163.3 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.053 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.733 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.4 OUTLIER -104.69 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 46.8 mtmt -67.67 148.12 51.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.3 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.52 8.8 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.593 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 6.6 m120 -93.41 119.38 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.462 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -46.28 156.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.457 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.8 t -112.5 158.53 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.14 -135.07 1.97 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.744 -0.943 . . . . 1.0 110.744 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -114.07 118.63 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 1.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m 64.04 95.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -161.91 -44.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.975 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.0 OUTLIER 62.8 144.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.978 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' MET . 27.7 m -110.05 176.01 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.529 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' H ' ' HE2' ' A' ' 18' ' ' MET . 57.2 m -95.1 102.75 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 1.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.532 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -38.55 149.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.616 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.8 Cg_endo -76.41 4.14 18.49 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.458 -1.892 . . . . 1.0 111.83 -0.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.733 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -57.93 124.29 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.285 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 ttmm -130.69 148.92 52.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 t -50.39 101.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 19' ' ' LYS . 80.8 t -104.26 165.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.467 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 21.4 t80 -108.37 159.03 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.325 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.637 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -119.5 -106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.252 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -166.28 -65.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 14.0 p90 -76.26 1.01 17.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -149.74 94.33 2.16 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.6 tt0 -57.49 -23.24 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.96 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -62.53 -12.23 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 1.0 110.659 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 42.43 -167.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -156.89 165.3 36.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.0 m -69.31 119.95 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.197 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -144.16 136.71 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.619 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.08 112.32 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.42 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 81.0 p -89.86 150.92 22.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.34 -36.89 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.156 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.516 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.33 -29.58 70.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -17.56 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.09 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.756 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 97.6 mt -60.92 -36.81 80.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.145 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.28 -26.62 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -122.41 37.99 4.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.619 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.756 ' NZ ' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -38.6 120.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.722 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 7.9 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.472 -0.775 . . . . 1.0 110.584 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.525 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.96 169.13 18.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.032 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.691 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.58 178.91 4.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.927 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' CD ' ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -64.15 142.76 58.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.368 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.3 13.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.802 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -96.78 117.4 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.539 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.555 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.0 m0 -53.8 150.19 7.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.51 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.1 m -90.34 134.99 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.077 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.65 45.4 0.08 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' OE2' ' A' ' 12' ' ' GLU . 13.6 ttmt -174.7 161.63 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 1.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p -77.25 102.71 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' OE2' ' HB3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -179.5 148.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.397 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.8 p-10 -100.31 38.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.123 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.2 m 46.82 -177.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 50.9 m -96.38 99.01 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.948 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.3 p -35.71 147.88 0.16 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.004 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 46.5 Cg_endo -76.83 4.47 19.63 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.536 -1.86 . . . . 1.0 111.709 0.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.691 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -60.17 132.19 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.565 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.112 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -53.72 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.322 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.5 t -105.02 165.55 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.588 ' N ' HG12 ' A' ' 21' ' ' VAL . 3.7 t80 -106.83 146.78 30.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.192 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -108.38 -111.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.076 -0.342 . . . . 1.0 110.076 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -150.69 -71.23 0.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.503 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -86.53 13.9 7.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.313 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 5.2 m-80 -141.91 80.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.106 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.533 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 38.3 tt0 -60.5 -16.77 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.737 0.303 . . . . 1.0 110.246 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -62.39 -12.45 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.261 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 48.5 178.61 0.01 OUTLIER Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -159.26 162.89 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 1.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.9 m -72.47 117.02 13.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -150.7 135.09 17.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.316 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 p -48.53 157.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 1.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 27.6 p -143.65 152.15 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 1.0 110.507 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.3 -39.75 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.3 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.53 -28.25 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.93 -15.45 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.016 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 88.3 mt -62.48 -35.8 80.49 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.855 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -63.23 -22.2 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.528 179.384 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -121.4 38.53 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.753 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.33 109.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.636 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.0 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.631 -0.699 . . . . 1.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.553 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.4 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.522 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -150.28 -173.87 4.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.268 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.599 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -107.77 -172.68 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.138 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 19.7 mttp -69.18 148.26 50.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.186 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.24 6.35 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.467 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 6.3 m120 -89.78 174.98 7.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.186 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.458 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 4.4 m0 -95.26 149.29 21.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.387 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.0 t -108.18 92.7 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.466 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.2 -143.45 3.2 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' THR . 0.2 OUTLIER -111.18 160.36 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.426 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t 36.06 60.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.473 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 5.9 pt-20 -178.33 70.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -53.12 168.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 78.3 m -87.16 177.68 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.862 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.553 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 57.6 m -95.59 101.74 13.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.948 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 7.9 p -37.18 149.32 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.816 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.6 Cg_endo -77.74 5.95 22.3 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.577 -1.843 . . . . 1.0 111.859 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.599 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 41.7 mtm -53.95 119.52 5.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.384 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -111.34 138.66 47.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.219 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.75 104.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' LYS . 9.6 t -104.12 164.65 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.396 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 23.5 t80 -102.75 160.3 14.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.144 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.631 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -118.23 -99.93 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.132 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.65 -79.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -86.13 12.86 8.76 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 12.7 m-20 -136.52 85.48 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.971 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.591 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 33.0 tt0 -59.34 -23.31 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.462 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 28.4 pt20 -59.26 -15.1 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.84 -173.63 0.1 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -143.26 161.23 38.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 1.0 110.461 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 83.7 m -82.18 114.98 21.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.112 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.13 125.37 11.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.83 0.347 . . . . 1.0 110.536 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -45.72 161.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.912 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 75.7 p -142.41 157.09 45.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 1.0 110.478 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -60.84 -41.57 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.5 p -64.35 -23.63 67.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.57 -17.39 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.852 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 38' ' ' LEU . 76.7 mt -62.02 -39.11 91.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.911 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -59.43 -21.64 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.611 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -131.51 41.52 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.741 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.88 95.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.665 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.6 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.481 -0.771 . . . . 1.0 110.437 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.554 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 4.8 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.525 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -150.4 -175.89 5.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 1.0 110.604 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 1.4 mptp? -105.62 -171.65 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.1 mtmm -74.77 155.25 37.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 73.84 5.04 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.802 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -91.74 117.29 29.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 1.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.594 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 10.7 m0 -43.37 148.44 0.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.358 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 62.7 m -69.19 -33.67 73.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -36.14 -63.41 0.65 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.548 -1.021 . . . . 1.0 110.548 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -47.57 106.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 1.0 110.242 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.64 HG23 ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER 48.24 -171.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.237 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' N ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -112.88 165.43 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.503 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 50.61 173.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.259 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -145.64 -161.99 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.412 179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 73.5 m -91.69 97.7 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.462 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -34.19 146.93 0.13 Allowed Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.804 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 45.8 Cg_endo -81.01 11.25 29.59 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.816 -1.743 . . . . 1.0 112.074 0.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 29.6 mtm -54.03 120.06 5.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.7 ttpt -124.3 144.35 50.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 43.8 t -59.55 115.98 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.096 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 50.2 t -113.06 161.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.503 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.9 t80 -108.22 139.85 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.13 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.42 -103.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.13 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.34 -75.31 0.08 Allowed 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 179.47 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.3 p90 -79.77 4.25 16.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.36 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m-20 -135.98 82.3 1.94 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.153 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 19.1 tt0 -59.3 -15.83 18.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.594 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.8 pt20 -62.74 -12.16 22.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.371 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 44.67 -175.43 0.01 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -158.4 163.93 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.465 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.9 m -76.2 126.43 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.977 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 34' ' ' THR . 63.9 mt-30 -150.58 126.4 10.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.164 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.32 100.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 109.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 32' ' ' GLN . 5.0 p -89.81 158.84 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.736 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.15 -33.41 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.979 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.526 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.86 -28.55 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.75 -15.33 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.03 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -62.35 -35.19 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.983 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.45 -21.13 63.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.534 179.476 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.61 38.51 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.607 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.1 112.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.929 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 13.9 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.771 . . . . 1.0 110.343 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.548 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.0 t . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 18' ' ' MET . . . -156.01 -167.41 2.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 1.0 110.297 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -110.62 -172.68 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.847 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 25.7 mtmm -67.08 154.33 41.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.164 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.37 1.88 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.754 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -89.76 116.64 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 1.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.573 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 13.1 m0 -41.28 139.65 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 18.7 t -50.78 -71.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.8 164.89 0.35 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -48.99 155.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.66 0.267 . . . . 1.0 110.44 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.6 m 86.5 -42.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.313 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.8 pt-20 35.41 46.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.469 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' HG22 ' A' ' 11' ' ' THR . 11.1 p-10 -110.19 60.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.533 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 13.3 m -63.07 177.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 62.7 m -93.67 103.78 15.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.3 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.482 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.7 p -38.56 150.04 0.21 Allowed Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.81 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.9 Cg_endo -78.03 7.85 21.48 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.618 -1.826 . . . . 1.0 112.129 -0.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 50.9 mtm -55.68 124.3 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.81 143.61 51.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.17 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.4 104.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.1 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 19' ' ' LYS . 22.6 t -104.82 162.61 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 5.2 t80 -103.22 151.22 22.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.049 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.7 -106.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.153 -0.314 . . . . 1.0 110.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.81 -69.17 0.09 Allowed 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -86.33 14.12 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 12.6 m-20 -148.13 91.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 36.5 tt0 -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.213 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 16.7 pt20 -61.07 -14.12 21.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.311 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.66 -167.1 0.05 OUTLIER Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.077 -0.809 . . . . 1.0 111.077 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -153.63 163.84 39.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.897 0.379 . . . . 1.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 62.9 m -73.66 120.99 20.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' HG21 ' A' ' 21' ' ' VAL . 71.6 mt-30 -147.92 127.71 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 21.9 p -58.61 163.51 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.055 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p -144.56 155.72 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.602 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.4 -41.15 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.244 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.9 p -64.07 -20.27 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -67.18 -14.07 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.165 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 80.2 mt -62.88 -32.53 73.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.821 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -63.22 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.614 179.498 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 14.8 pttp -126.63 38.31 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.572 -0.74 . . . . 1.0 109.68 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -37.16 114.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.723 -179.532 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.488 -0.767 . . . . 1.0 110.415 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.911 0.386 . . . . 1.0 110.036 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.78 159.13 36.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.767 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.727 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 7.4 mtmt -104.5 171.61 7.24 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -64.99 151.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.258 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.16 5.32 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.846 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -89.38 118.1 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 4.8 m0 -50.25 152.43 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.612 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -103.35 155.1 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.347 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.77 101.42 0.17 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.62 -169.05 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 1.0 110.577 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 p -68.31 105.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.429 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 4.3 mt-10 -125.95 -171.43 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 12' ' ' GLU . 64.3 m-20 -137.73 122.3 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 1.0 111.599 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 22.5 m -105.45 175.13 5.6 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' H ' ' HE2' ' A' ' 18' ' ' MET . 35.4 m -96.72 101.84 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.901 0.381 . . . . 1.0 110.782 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -39.71 148.41 0.3 Allowed Pre-proline 0 N--CA 1.462 0.13 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.568 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.1 Cg_endo -77.24 8.78 17.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 -1.788 . . . . 1.0 112.469 0.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.727 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.7 mtp -62.12 131.53 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 1.0 110.279 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -143.86 156.54 44.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.3 t -53.7 105.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.3 t -105.83 165.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.595 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 1.9 t80 -114.47 135.54 54.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.376 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.52 -105.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.102 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.59 -73.45 0.11 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.494 -0.558 . . . . 1.0 109.494 179.465 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.4 p90 -84.52 9.24 14.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.032 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.9 m-80 -136.15 84.32 2.07 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.4 tt0 -59.34 -22.0 60.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.599 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.6 pt20 -59.08 -22.0 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 51.05 -165.6 0.74 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -169.98 160.66 8.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 1.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 63.1 m -64.62 119.05 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.953 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.661 ' HB2' HG21 ' A' ' 21' ' ' VAL . 93.6 mt-30 -147.53 136.47 22.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.238 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -56.53 161.83 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.221 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.4 p -150.35 149.68 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.29 -35.04 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.34 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.18 -15.29 59.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.079 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 60.9 mt -62.61 -36.0 81.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.024 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.2 -21.71 66.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -127.11 38.48 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.543 179.422 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.01 116.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.938 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 13.4 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.437 -0.792 . . . . 1.0 110.351 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.525 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.49 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.079 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.704 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.55 179.5 4.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 1.0 109.986 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -65.38 143.48 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.389 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.98 12.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.697 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 6.5 m120 -95.97 117.76 31.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.482 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 5.5 m0 -53.81 148.88 9.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.945 0.402 . . . . 1.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -89.7 133.83 34.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.136 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.58 45.98 0.1 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HB3' ' OE2' ' A' ' 12' ' ' GLU . 13.9 ttmt -176.55 161.98 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 1.0 110.477 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.0 p -76.37 103.53 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' OE2' ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -179.31 147.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.35 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.4 p-10 -99.47 37.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.171 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.5 m 47.09 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.977 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.0 m -95.87 98.9 10.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.879 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.7 p -35.75 147.93 0.16 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.983 -179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 47.1 Cg_endo -76.49 4.23 18.67 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.555 -1.852 . . . . 1.0 111.799 0.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.704 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.0 mtp -60.19 133.21 55.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.573 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.72 147.24 37.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.148 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 t -52.87 103.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.118 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 19' ' ' LYS . 94.9 t -108.76 167.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.499 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -105.97 157.93 17.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.992 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.627 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -114.15 -100.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.139 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.93 -79.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.975 -0.379 . . . . 1.0 109.975 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -86.12 13.49 7.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.404 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.0 m-20 -139.29 83.43 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.351 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.1 tt0 -58.59 -16.98 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -58.2 -16.61 14.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.223 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 46.59 -178.9 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -157.39 161.07 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 1.0 110.614 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 m -70.76 117.24 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.221 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -150.33 136.14 18.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.336 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 p -48.38 158.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.2 p -143.92 151.71 40.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -60.36 -39.96 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.234 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -64.56 -27.97 69.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -66.09 -15.41 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.007 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 90.5 mt -62.72 -35.35 79.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.081 -0.508 . . . . 1.0 109.794 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.615 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.28 -21.71 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.547 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -122.23 38.65 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.741 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.48 109.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.58 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 7.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.545 -0.741 . . . . 1.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.2 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.29 -179.69 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 1.0 110.4 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.642 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.75 -178.94 3.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.058 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 24.4 mtmm -71.5 143.1 50.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.371 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 80.45 -4.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.736 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -94.83 123.05 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.57 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.9 m0 -40.03 157.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.21 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' GLY . 3.7 t -67.27 78.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 1.0 110.269 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . -42.69 169.48 0.01 OUTLIER Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 1.0 110.255 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 11' ' ' THR . 50.7 m -69.11 81.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.3 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' CYS . 7.7 mt-10 -34.63 -53.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.7 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -37.7 94.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 68.8 m -71.93 178.41 3.74 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 63.8 m -94.1 95.69 9.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.025 0.441 . . . . 1.0 110.122 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 9.8 p -34.8 147.05 0.14 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.971 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 45.9 Cg_endo -75.35 3.16 15.56 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.45 -1.896 . . . . 1.0 111.872 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.642 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.8 mtp -58.74 135.53 57.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.9 tttp -133.53 146.07 50.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.037 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.1 105.23 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 22' ' ' TYR . 97.5 t -104.54 166.17 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.153 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 17.6 t80 -105.81 157.55 17.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.282 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.593 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -112.62 -101.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.176 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.7 -76.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.843 -0.429 . . . . 1.0 109.843 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.3 p90 -88.53 17.76 5.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.136 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 9.5 m-20 -145.18 89.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.069 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 36.0 tt0 -58.65 -24.86 62.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.518 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 28.4 pt20 -57.93 -16.72 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 43.03 -164.25 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.442 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -156.38 165.25 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 1.0 110.355 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 88.9 m -77.74 119.8 21.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.983 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 4.4 mt-30 -139.68 136.98 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0 110.565 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -64.65 110.04 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.273 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.7 p -95.38 151.9 18.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.61 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.73 -33.27 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.012 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.551 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 96.9 p -63.52 -28.73 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.12 -15.74 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.078 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 29.9 mt -61.94 -35.66 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.138 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.2 -21.03 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.686 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -130.37 40.94 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.806 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.2 tptm -33.59 101.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.775 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.4 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.512 -0.756 . . . . 1.0 110.344 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.534 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.5 t . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.705 -0.48 . . . . 1.0 109.705 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -140.63 172.77 12.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.048 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.698 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.62 -177.49 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.977 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 12.7 mttm -69.61 142.06 53.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.468 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 76.71 15.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -101.57 117.69 35.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 1.0 110.491 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.654 ' CE2' ' NE2' ' A' ' 28' ' ' GLN . 4.5 m0 -40.99 137.13 1.31 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 1.0 110.515 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' GLN . 5.3 t -101.61 151.93 21.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.156 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.0 -76.59 0.72 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.771 -0.931 . . . . 1.0 110.771 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -177.07 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 1.0 110.175 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 15.3 t -112.0 179.29 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.139 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 85.69 -44.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.233 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' OD2' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 75.09 161.98 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 18' ' ' MET . 77.0 m -98.11 175.55 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.986 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.5 m -95.25 98.73 10.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.993 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.506 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 6.9 p -36.11 148.8 0.15 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.638 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.654 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.5 Cg_endo -77.96 7.32 21.88 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.584 -1.84 . . . . 1.0 112.042 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.698 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 3.6 mtp -62.14 127.06 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -131.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.023 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 m -49.27 109.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.907 -0.405 . . . . 1.0 109.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 19' ' ' LYS . 53.5 t -104.32 162.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.255 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' HG12 ' A' ' 21' ' ' VAL . 2.5 t80 -108.97 138.63 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.297 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.48 -106.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.449 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.02 -70.79 0.1 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.465 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -85.92 13.21 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.168 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 6.5 m-20 -144.04 87.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 34.3 tt0 -59.82 -20.66 58.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.384 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.654 ' NE2' ' CE2' ' A' ' 7' ' ' TRP . 29.4 pt20 -62.65 -12.76 25.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.472 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.05 -159.66 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -170.51 156.33 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.452 . . . . 1.0 110.728 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 80.8 m -64.56 113.69 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.266 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.625 ' HB2' HG21 ' A' ' 21' ' ' VAL . 40.3 mt-30 -145.46 130.74 18.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.228 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -56.45 169.33 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.7 p -150.31 156.8 42.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.76 -38.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.856 0.36 . . . . 1.0 110.094 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.59 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 17' ' ' PRO . . . -63.17 -17.74 62.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.982 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 87.8 mt -61.99 -37.9 86.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.043 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.27 -21.97 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 39.37 3.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.652 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE3' HD23 ' A' ' 38' ' ' LEU . 3.9 tttt -42.27 110.51 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.679 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.506 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.466 -0.778 . . . . 1.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 4.4 t . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -165.15 -168.18 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.885 0.374 . . . . 1.0 110.674 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 3.0 mmmm -107.55 -170.64 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.96 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 10.0 mttt -73.81 155.42 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 1.0 110.28 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.84 3.61 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.684 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -89.8 119.04 29.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 1.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 9.3 m0 -45.86 144.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.626 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 11.7 t -93.72 -60.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.433 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.96 61.14 7.68 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.91 158.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.763 0.316 . . . . 1.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 40.8 p 45.17 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.217 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 11' ' ' THR . 46.4 mm-40 66.49 100.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.168 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 12.9 t70 -80.55 -15.95 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' ASP . 16.7 m 76.74 -179.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 95.8 m -92.68 100.11 12.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.252 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.9 p -36.57 148.49 0.18 Allowed Pre-proline 0 CA--C 1.52 -0.202 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.031 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 45.7 Cg_endo -78.23 8.55 21.42 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.667 -1.806 . . . . 1.0 112.325 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.523 ' CE ' ' O ' ' A' ' 2' ' ' ALA . 41.7 mtm -55.4 119.06 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 144.32 44.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.62 105.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.998 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 23.4 t -104.63 157.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.489 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -107.61 155.7 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.134 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.635 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -120.74 -104.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -162.75 -81.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 1.0 110.214 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 1.4 p90 -58.68 -16.87 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.087 0.47 . . . . 1.0 110.124 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.3 p30 -129.41 84.41 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.72 -0.673 . . . . 1.0 109.551 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -55.98 -21.23 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.493 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.1 pt20 -59.28 -13.02 6.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.645 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.44 -172.69 0.11 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -151.49 161.96 41.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.91 0.386 . . . . 1.0 110.162 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -77.45 120.75 22.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -147.67 127.28 13.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 1.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 33.6 p -62.22 116.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.181 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.0 p -100.01 159.58 14.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.539 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.02 -33.4 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.918 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.521 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.1 p -63.84 -29.3 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.91 -16.05 60.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.698 . . . . 1.0 109.983 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.3 mt -62.28 -36.72 82.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.984 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.61 -21.12 64.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 1.0 109.618 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.5 ptmm? -124.51 39.46 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.95 113.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.904 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 20.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.397 -0.811 . . . . 1.0 110.378 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.988 -0.375 . . . . 1.0 109.988 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.47 158.51 39.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.874 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.798 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 173.43 6.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.0 mtmp? -64.08 145.15 56.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.16 8.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -95.18 118.33 31.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 1.0 110.45 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 8.9 m0 -50.77 142.94 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.53 -82.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.441 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 80.95 80.35 0.87 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.509 -1.036 . . . . 1.0 110.509 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.5 OUTLIER 64.61 -171.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' LYS . 77.3 p 43.03 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.169 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.71 144.91 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.293 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 170.55 90.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 1.0 111.25 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -143.48 177.87 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' H ' ' HE2' ' A' ' 18' ' ' MET . 22.4 m -97.0 101.8 13.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.403 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.461 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.1 p -38.05 149.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.528 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -77.52 5.93 21.29 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 -1.805 . . . . 1.0 112.004 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.798 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mtp -58.35 125.52 23.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.352 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.9 ttmt -133.12 146.43 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.208 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.81 101.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 1.0 109.964 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.7 t -104.51 166.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 18.6 t80 -103.34 159.24 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.055 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -115.37 -100.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.55 -79.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.539 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -86.0 13.68 7.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.294 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.45 ' OD1' ' CE1' ' A' ' 25' ' ' TYR . 1.6 m120 -139.89 86.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.987 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 31.9 tt0 -58.52 -20.9 50.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' GLY . 2.5 pt20 -59.22 -18.87 40.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.8 -166.58 0.08 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -164.65 162.66 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 1.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 64.6 m -68.78 116.27 9.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.051 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mt-30 -144.69 135.7 24.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 p -54.62 157.24 3.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -148.59 150.51 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.509 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.75 -34.04 60.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.102 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.88 -28.67 70.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.14 -14.75 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.121 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 50.6 mt -62.39 -34.09 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 1.0 109.969 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -62.73 -22.44 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 11.0 pttp -126.05 39.08 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.674 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.89 104.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.733 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.1 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.59 168.85 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.872 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.718 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 13.8 mmtt -104.49 179.2 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.0 109.999 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -70.8 147.89 48.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.26 -7.54 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.686 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 14.4 m120 -89.89 122.75 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.221 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.478 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.0 m0 -44.08 165.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 1.0 110.773 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.49 146.76 24.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.52 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.69 -103.64 0.57 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 11' ' ' THR . 4.4 ptpt -151.34 -140.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 1.0 110.133 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 10' ' ' LYS . 9.3 t 44.85 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.807 0.337 . . . . 1.0 110.569 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -35.41 118.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.47 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -47.24 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.17 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 18' ' ' MET . 29.4 m -50.44 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 1.0 110.031 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.4 m -95.0 99.41 11.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.302 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -37.14 148.72 0.19 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.709 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.0 Cg_endo -76.42 4.31 18.36 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.627 -1.822 . . . . 1.0 111.962 -0.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.718 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.5 mtp -56.33 122.08 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.0 tttp -125.79 153.66 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.16 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.46 111.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.134 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 32' ' ' GLN . 15.6 t -105.56 150.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.446 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 2.1 t80 -107.81 137.1 46.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.27 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.76 -105.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.094 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.89 -72.71 0.11 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.387 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 26' ' ' ASN . 3.8 p90 -81.98 5.95 17.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.576 . . . . 1.0 109.953 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 1.6 m-80 -133.86 82.93 2.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.931 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 28.7 tt0 -60.59 -25.38 66.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.153 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' NE2' ' OD1' ' A' ' 26' ' ' ASN . 29.4 pt20 -58.87 -16.54 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.224 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.96 -170.53 0.04 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -156.31 159.96 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 1.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.8 m -74.56 126.13 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.898 ' HB2' HG21 ' A' ' 21' ' ' VAL . 96.0 mt-30 -149.72 143.24 25.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.388 . . . . 1.0 110.682 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.3 p -91.53 150.78 21.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.773 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.58 -34.5 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 1.0 109.996 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.7 -29.28 70.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.06 -16.2 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.99 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 86.3 mt -62.18 -36.79 82.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.931 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.02 -22.3 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.544 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.1 ptmm? -121.45 38.65 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.576 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -33.66 115.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.89 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.464 -0.779 . . . . 1.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.3 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' O ' ' HE1' ' A' ' 18' ' ' MET . . . -137.85 -162.14 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.822 0.344 . . . . 1.0 110.381 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -121.93 177.17 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.179 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CB ' ' HD2' ' A' ' 5' ' ' ARG . 13.7 mtpp -67.82 149.91 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HD2' ' CB ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 71.89 17.46 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' SER . 4.8 m120 -95.66 125.25 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.467 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.654 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -49.08 122.47 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.13 154.52 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.8 35.49 0.62 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLU . 11.6 mtmt 41.19 -153.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.325 . . . . 1.0 110.24 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m 65.08 -64.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' LYS . 1.8 mt-10 -114.65 133.72 55.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 10.3 t0 -59.12 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.202 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER 168.27 -170.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.296 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.679 ' H ' ' HE2' ' A' ' 18' ' ' MET . 62.3 m -93.5 92.45 7.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.49 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.4 p -35.15 146.72 0.17 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.544 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.8 Cg_endo -81.11 12.12 28.2 Favored 'Cis proline' 0 C--O 1.23 0.117 0 C-N-CA 122.74 -1.775 . . . . 1.0 112.146 0.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.679 ' HE2' ' H ' ' A' ' 15' ' ' CYS . 19.9 mtp -52.04 120.54 5.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.444 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -124.51 135.88 53.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.953 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 11.4 t -48.41 110.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 19' ' ' LYS . 70.5 t -110.39 160.66 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.546 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 9.7 t80 -107.15 154.21 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.095 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -110.11 -103.45 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.195 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.39 -71.61 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.906 -0.405 . . . . 1.0 109.906 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -87.47 16.52 5.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.229 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.42 HD21 ' HA ' ' A' ' 26' ' ' ASN . 1.9 m120 -150.29 93.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.891 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 19.1 tt0 -58.49 -30.16 66.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.654 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 5.3 pt20 -55.52 -19.52 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' TRP . . . 40.92 -160.12 0.02 OUTLIER Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.1 p -156.26 163.37 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 1.0 110.316 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 32.6 m -75.63 127.63 33.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 21' ' ' VAL . 65.1 mt-30 -146.48 128.54 15.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.959 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.497 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 52.2 p -51.26 105.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 19' ' ' LYS . 37.1 p -89.45 151.78 21.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.667 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.25 -34.17 59.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.086 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.495 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -63.44 -29.94 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -16.39 60.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.077 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -61.95 -36.99 83.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.599 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.68 -20.47 56.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.9 ptmt -127.46 39.97 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -31.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.889 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.443 -0.789 . . . . 1.0 110.484 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 6.7 t . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.962 0.41 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.1 160.21 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.796 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 8.8 mptt -104.56 -178.0 3.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mtpt -69.1 142.71 54.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.14 12.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.53 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 7.9 m120 -103.93 117.96 35.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.601 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.695 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -49.52 136.64 16.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.082 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -106.91 84.68 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.313 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.47 62.82 0.5 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -165.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 1.0 110.455 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -74.26 168.98 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.481 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 64.83 141.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.06 172.14 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.064 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' MET . 7.6 m -73.23 176.83 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.391 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 22.2 m -94.86 105.36 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.315 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.465 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.0 p -38.29 149.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.53 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.4 Cg_endo -76.96 5.04 19.51 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.595 -1.836 . . . . 1.0 111.716 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.468 ' SD ' ' HG3' ' A' ' 4' ' ' LYS . 1.5 mtp -62.76 130.45 44.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.31 154.16 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.933 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -63.35 121.43 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 91.2 t -115.49 157.72 16.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.063 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.1 t80 -108.48 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.489 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.97 -102.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.932 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -154.68 -76.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.462 -0.569 . . . . 1.0 109.462 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.6 p90 -81.27 4.94 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.172 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.5 m-80 -128.94 78.02 1.83 Allowed 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.203 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 44.4 tt0 -60.47 -15.17 24.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 1.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.695 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 16.4 pt20 -66.6 -9.26 33.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.535 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 48.24 -177.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.111 -0.795 . . . . 1.0 111.111 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -153.39 154.71 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.21 0.529 . . . . 1.0 110.535 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 82.5 m -79.45 121.3 25.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.408 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -149.77 142.67 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -62.59 104.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 40.2 p -90.25 152.21 21.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.637 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.07 -34.31 62.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 1.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.497 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -63.74 -29.09 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.91 -16.77 60.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.0 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 53.2 mt -61.93 -38.76 89.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.052 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.609 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -60.47 -22.79 63.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.51 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -123.85 39.57 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.702 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.3 mmtt -33.84 112.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.57 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 5.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.314 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.24 165.79 24.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.742 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.56 174.64 5.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.102 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 5.6 mtpp -66.68 144.66 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.13 11.12 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.465 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 5.8 m120 -91.2 121.02 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.564 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 5.3 m0 -59.98 132.8 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.406 . . . . 1.0 110.437 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -81.06 48.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.602 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . -38.04 -94.79 0.01 OUTLIER Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.91 59.3 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 1.0 110.028 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -142.97 147.18 34.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.131 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -127.07 66.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.511 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 14.8 t70 178.4 127.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 1.0 111.404 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 61.0 m -126.5 178.62 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' H ' ' HE2' ' A' ' 18' ' ' MET . 54.1 m -94.9 98.63 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.908 0.385 . . . . 1.0 110.41 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.485 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.3 p -37.39 148.7 0.2 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.719 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 45.4 Cg_endo -75.88 4.31 16.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.555 -1.852 . . . . 1.0 112.042 -0.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.742 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.3 mtp -56.7 128.83 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.345 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -133.47 136.81 45.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.41 103.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.91 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 19' ' ' LYS . 62.7 t -104.39 166.03 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -108.49 160.4 15.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.299 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.643 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -122.5 -105.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.038 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -165.78 -71.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 1.0 109.917 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.586 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 10.9 p90 -69.78 -6.68 33.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.311 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 4.7 p30 -141.62 87.27 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.794 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 6.8 tt0 -57.13 -18.48 15.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.564 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 21.1 pt20 -62.3 -11.75 16.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.623 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.99 -167.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -164.47 161.03 21.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.361 . . . . 1.0 110.631 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 77.8 m -68.4 118.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.219 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -146.54 133.15 19.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -53.87 165.05 0.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.308 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 19.8 p -150.37 151.89 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.497 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.56 -38.09 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.405 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.21 -24.46 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.75 -16.17 62.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 1.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 36.0 mt -62.42 -37.04 84.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.972 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.628 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.6 -22.07 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.589 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.35 37.74 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.688 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.2 mmtt -36.41 116.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.759 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.468 -0.777 . . . . 1.0 110.505 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.774 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.65 178.18 4.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.149 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.7 mtpm? -67.44 143.39 56.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.439 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.12 18.22 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 30' ' ' SER . 4.2 m-80 -98.84 124.87 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD1' ' CB ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -54.35 135.96 44.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.383 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' GLN . 51.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 18' ' ' MET . 5.8 m . . . . . 0 CA--C 1.522 -0.096 0 N-CA-C 109.814 -0.439 . . . . 1.0 109.814 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' H ' ' HE2' ' A' ' 18' ' ' MET . 26.2 m -97.58 102.13 13.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.44 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p -37.41 147.87 0.22 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.64 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.1 Cg_endo -77.33 6.98 19.33 Favored 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.725 -1.781 . . . . 1.0 112.163 0.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.774 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.5 mtp -60.65 126.0 25.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.671 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.775 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tttt -133.79 144.72 49.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.131 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 m -50.81 119.47 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 1.0 110.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LYS . 77.9 t -120.27 170.06 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.254 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' N ' HG12 ' A' ' 21' ' ' VAL . 6.7 t80 -113.07 146.37 39.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.794 0.33 . . . . 1.0 110.342 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -98.81 -102.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.05 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -152.74 -83.26 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.63 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -81.58 5.72 17.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.283 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.63 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.1 m-20 -132.78 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.514 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.0 tt0 -51.59 -20.86 2.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.041 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' CB ' ' CD1' ' A' ' 7' ' ' TRP . 5.8 mm-40 -40.36 -33.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.287 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 63.3 169.91 1.35 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.563 -1.015 . . . . 1.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -148.58 152.68 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.134 0.492 . . . . 1.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 70.8 m -73.08 118.69 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.153 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -147.87 135.43 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 24.3 p -53.75 111.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 79.7 p -89.76 153.76 20.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.562 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.47 -42.43 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.082 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.433 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -62.65 -18.12 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.013 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 84.5 mt -62.03 -39.57 92.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.85 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -61.37 -21.63 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.588 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -125.48 39.43 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.852 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -34.45 112.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.749 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.445 -0.788 . . . . 1.0 110.321 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.115 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.755 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.53 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 1.0 109.962 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.4 mttp -68.87 146.32 52.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.448 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 76.25 11.77 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' SER . 3.4 m-80 -93.4 121.93 35.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.545 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 6.7 m0 -52.54 128.35 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.592 ' H ' ' HE2' ' A' ' 18' ' ' MET . 28.6 m -98.39 100.66 11.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.499 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.2 p -38.41 147.41 0.26 Allowed Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.7 Cg_endo -77.54 8.69 18.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.789 -1.755 . . . . 1.0 112.566 0.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.755 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 11.1 mtp -60.42 128.54 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.656 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -136.53 148.86 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.209 179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.7 t -49.11 109.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 19' ' ' LYS . 51.7 t -110.82 166.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 27' ' ' GLU . 16.5 t80 -102.15 159.66 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.042 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.05 -105.29 0.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.215 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.11 -79.58 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.901 -0.407 . . . . 1.0 109.901 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -86.8 15.29 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.338 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 28.0 m-20 -142.69 90.28 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.703 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . 5.3 tt0 -57.58 -22.93 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.758 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 18.6 pt20 -59.72 -15.02 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 1.0 110.57 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 44.39 -167.31 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -156.39 160.5 39.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.403 . . . . 1.0 110.519 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 71.5 m -70.03 120.85 16.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.079 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -147.85 133.85 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.463 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 22.0 p -64.44 113.78 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.1 p -96.86 159.29 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.544 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -34.71 67.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.878 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.438 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.6 p -63.39 -19.67 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.1 -16.69 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 77.2 mt -62.41 -37.53 86.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.759 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.595 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.12 -22.13 66.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.505 179.417 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -128.94 37.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.762 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.12 112.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.757 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 10.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 1.0 110.238 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 C--O 1.232 0.142 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.606 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -113.57 -172.83 2.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.054 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' N ' ' SD ' ' A' ' 18' ' ' MET . 32.8 mtmt -70.38 148.34 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.146 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.58 4.48 2.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.476 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.9 m-80 -89.37 176.77 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.682 -0.488 . . . . 1.0 109.682 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.589 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.1 m0 -91.26 149.83 21.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.669 0.271 . . . . 1.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.322 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.54 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 55.5 m -96.82 101.27 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 1.0 110.183 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -36.88 148.32 0.19 Allowed Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.951 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 33' ' ' SER . 47.4 Cg_endo -77.19 6.24 19.42 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 -1.814 . . . . 1.0 112.231 -0.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.606 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 50.4 mtm -54.93 121.25 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.543 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 ttpt -120.85 138.51 54.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.474 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.32 105.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.123 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 22' ' ' TYR . 78.5 t -104.91 166.54 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.628 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' N ' HG12 ' A' ' 21' ' ' VAL . 1.5 t80 -104.59 130.34 52.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.178 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.99 -102.73 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.035 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.51 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.435 -0.579 . . . . 1.0 109.435 179.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.629 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.7 p90 -83.06 7.63 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.033 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.629 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.4 m-80 -132.87 81.62 1.95 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.221 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 56.3 tt0 -60.0 -14.1 14.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.202 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.589 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 3.1 pt20 -71.41 -2.23 15.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.687 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.13 -175.28 0.02 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -151.95 158.87 43.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.889 0.376 . . . . 1.0 110.584 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.2 m -79.45 116.52 19.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.773 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -147.42 125.41 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.542 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HG2' ' A' ' 17' ' ' PRO . 3.1 p -61.65 113.24 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 26.2 p -94.28 154.71 17.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.576 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.35 -34.38 64.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.184 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.536 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -64.1 -28.63 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.4 -13.67 59.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.096 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.0 mt -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -63.71 -21.03 66.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 8.1 ptmt -124.85 36.99 4.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.474 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.0 mmtt -33.53 114.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.985 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.491 -0.766 . . . . 1.0 110.355 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.861 0.362 . . . . 1.0 110.222 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -105.0 -171.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.015 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mttp -70.73 147.15 49.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.31 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.98 4.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.895 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-80 -89.96 161.02 16.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.572 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 5.1 m0 -90.76 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.195 -0.298 . . . . 1.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 36.0 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 1.0 110.528 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.956 0.407 . . . . 1.0 110.216 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 51.2 m -97.73 99.05 10.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.12 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.519 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -37.05 149.35 0.18 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.1 Cg_endo -77.59 6.24 21.3 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.609 -1.829 . . . . 1.0 111.905 -0.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 38.5 mtm -54.71 118.73 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.629 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 135.76 54.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.899 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.31 118.98 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 1.0 110.23 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.495 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 t -108.3 156.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.142 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.92 125.93 49.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.967 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 -104.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.762 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -153.5 -74.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -82.07 5.03 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.923 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.546 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -128.16 77.98 1.8 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.309 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -14.51 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.572 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 7.1 pt20 -71.64 -1.72 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 43.06 -171.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -156.78 158.01 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.174 0.512 . . . . 1.0 111.236 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.6 m -73.97 112.48 10.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.328 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -147.39 120.04 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.451 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -61.3 119.4 8.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.389 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.637 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.8 p -92.91 160.91 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.689 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.54 -43.85 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.198 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.8 p -63.08 -19.87 64.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.95 -15.78 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.242 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.56 -35.63 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.993 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -62.96 -18.78 63.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.791 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -127.61 38.95 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.818 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.28 102.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.799 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.7 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.506 -0.759 . . . . 1.0 110.46 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.624 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 175.76 5.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.3 mtmp? -65.33 145.07 56.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.91 0.386 . . . . 1.0 110.478 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.43 14.19 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.717 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.6 m-80 -96.38 118.03 32.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.47 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -43.35 143.62 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.45 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 46.4 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.377 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m . . . . . 0 CA--C 1.52 -0.174 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -95.05 98.01 10.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.328 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -37.21 148.34 0.2 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.644 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.5 Cg_endo -78.1 7.29 22.56 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 -1.802 . . . . 1.0 112.019 0.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.624 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 8.0 mtp -58.88 125.73 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.9 ttmt -132.28 143.33 49.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.156 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.99 102.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 1.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.9 t -104.44 173.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.337 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.627 ' H ' HG12 ' A' ' 21' ' ' VAL . 16.6 t80 -105.87 156.71 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.045 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.43 -100.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.014 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -156.63 -76.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.924 -0.398 . . . . 1.0 109.924 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.556 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -88.95 19.12 4.3 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.207 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 48.4 m-20 -147.35 89.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 35.0 tt0 -58.87 -22.66 59.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 7' ' ' TRP . 1.4 pt20 -58.04 -16.32 12.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.57 -160.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -171.15 163.34 7.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 1.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -62.15 111.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.181 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.464 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 29.9 mt-30 -140.13 131.53 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.856 0.36 . . . . 1.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -54.23 150.75 8.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.97 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -143.49 152.57 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.95 -32.71 55.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.011 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.8 p -63.85 -28.84 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.04 -14.68 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.136 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 35.6 mt -62.37 -34.47 76.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.01 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.38 -21.98 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 5.3 pttp -126.66 37.74 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.587 -0.733 . . . . 1.0 109.569 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.38 100.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.832 -179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.458 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.5 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.47 -0.776 . . . . 1.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.733 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.4 OUTLIER -104.69 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 46.8 mtmt -67.67 148.12 51.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.3 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.52 8.8 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.593 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.5 m-80 -93.41 119.38 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.462 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.505 ' CZ3' ' NE2' ' A' ' 28' ' ' GLN . 3.3 m0 -46.28 156.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.457 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.8 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.483 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' MET . 27.7 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' H ' ' HE2' ' A' ' 18' ' ' MET . 57.2 m -95.1 102.75 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 1.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.532 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -38.55 149.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.616 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.8 Cg_endo -76.41 4.14 18.49 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.458 -1.892 . . . . 1.0 111.83 -0.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.733 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -57.93 124.29 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.285 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 ttmm -130.69 148.92 52.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 t -50.39 101.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 19' ' ' LYS . 80.8 t -104.26 165.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.467 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 21.4 t80 -108.37 159.03 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.325 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.637 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -119.5 -106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.252 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -166.28 -65.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 14.0 p90 -76.26 1.01 17.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -149.74 94.33 2.16 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.6 tt0 -57.49 -23.24 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.96 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.505 ' NE2' ' CZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -62.53 -12.23 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 1.0 110.659 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 42.43 -167.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -156.89 165.3 36.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.0 m -69.31 119.95 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.197 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -144.16 136.71 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.619 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.08 112.32 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.42 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 81.0 p -89.86 150.92 22.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.34 -36.89 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.156 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.516 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.33 -29.58 70.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -17.56 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.09 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.756 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 97.6 mt -60.92 -36.81 80.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.145 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.28 -26.62 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -122.41 37.99 4.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.619 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.756 ' NZ ' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -38.6 120.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.722 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 7.9 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.472 -0.775 . . . . 1.0 110.584 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 110.032 -0.359 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.691 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.58 178.91 4.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.927 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' CD ' ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -64.15 142.76 58.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.368 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.3 13.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.802 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -96.78 117.4 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.539 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.555 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.0 m0 -53.8 150.19 7.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.51 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.077 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.2 m . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 120.859 0.361 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 50.9 m -96.38 99.01 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.948 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.3 p -35.71 147.88 0.16 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.004 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 46.5 Cg_endo -76.83 4.47 19.63 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.536 -1.86 . . . . 1.0 111.709 0.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.691 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -60.17 132.19 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.565 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.112 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -53.72 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.322 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.5 t -105.02 165.55 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.588 ' N ' HG12 ' A' ' 21' ' ' VAL . 3.7 t80 -106.83 146.78 30.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.192 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -108.38 -111.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.076 -0.342 . . . . 1.0 110.076 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -150.69 -71.23 0.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -86.53 13.9 7.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.313 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 5.2 m-80 -141.91 80.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.106 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.533 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 38.3 tt0 -60.5 -16.77 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.737 0.303 . . . . 1.0 110.246 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -62.39 -12.45 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.261 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 48.5 178.61 0.01 OUTLIER Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -159.26 162.89 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 1.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.9 m -72.47 117.02 13.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -150.7 135.09 17.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.316 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 p -48.53 157.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 1.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 27.6 p -143.65 152.15 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 1.0 110.507 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.3 -39.75 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.3 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.53 -28.25 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.93 -15.45 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.016 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 88.3 mt -62.48 -35.8 80.49 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.855 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -63.23 -22.2 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.528 179.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -121.4 38.53 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.753 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.33 109.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.636 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.0 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.631 -0.699 . . . . 1.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.522 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.757 0.313 . . . . 1.0 110.268 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.599 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -107.77 -172.68 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.138 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 19.7 mttp -69.18 148.26 50.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.186 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.24 6.35 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.467 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 3.1 m-80 -89.78 174.98 7.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.186 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.608 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.4 m0 -95.26 149.29 21.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.387 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.0 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.466 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 CA--C 1.519 -0.224 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 57.6 m -95.59 101.74 13.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.948 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 7.9 p -37.18 149.32 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.816 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.6 Cg_endo -77.74 5.95 22.3 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.577 -1.843 . . . . 1.0 111.859 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.599 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 41.7 mtm -53.95 119.52 5.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.384 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -111.34 138.66 47.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.219 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.75 104.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' LYS . 9.6 t -104.12 164.65 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.396 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 23.5 t80 -102.75 160.3 14.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.144 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.631 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -118.23 -99.93 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.132 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.65 -79.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -86.13 12.86 8.76 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 12.7 m-20 -136.52 85.48 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.971 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.591 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 33.0 tt0 -59.34 -23.31 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.462 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 9.2 pt20 -59.26 -15.1 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.84 -173.63 0.1 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -143.26 161.23 38.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 1.0 110.461 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 83.7 m -82.18 114.98 21.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.112 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.13 125.37 11.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.83 0.347 . . . . 1.0 110.536 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -45.72 161.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.912 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 75.7 p -142.41 157.09 45.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 1.0 110.478 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -60.84 -41.57 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.5 p -64.35 -23.63 67.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.57 -17.39 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.852 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 38' ' ' LEU . 76.7 mt -62.02 -39.11 91.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.911 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -59.43 -21.64 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.611 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -131.51 41.52 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.741 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.88 95.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.665 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.6 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.481 -0.771 . . . . 1.0 110.437 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.525 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.831 0.348 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 1.4 mptp? -105.62 -171.65 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.512 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.1 mtmm -74.77 155.25 37.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 73.84 5.04 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.802 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -91.74 117.29 29.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 1.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.594 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 10.7 m0 -43.37 148.44 0.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.358 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 62.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.241 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 120.802 0.334 . . . . 1.0 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 73.5 m -91.69 97.7 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.462 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -34.19 146.93 0.13 Allowed Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.804 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 45.8 Cg_endo -81.01 11.25 29.59 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.816 -1.743 . . . . 1.0 112.074 0.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 29.6 mtm -54.03 120.06 5.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.7 ttpt -124.3 144.35 50.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 43.8 t -59.55 115.98 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.096 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 50.2 t -113.06 161.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.503 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.9 t80 -108.22 139.85 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.13 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.42 -103.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.13 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.34 -75.31 0.08 Allowed 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 179.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.3 p90 -79.77 4.25 16.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.36 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m-20 -135.98 82.3 1.94 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.153 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 19.1 tt0 -59.3 -15.83 18.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.594 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.8 pt20 -62.74 -12.16 22.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.371 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 44.67 -175.43 0.01 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -158.4 163.93 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.465 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.9 m -76.2 126.43 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.977 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 34' ' ' THR . 63.9 mt-30 -150.58 126.4 10.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.164 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.32 100.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 109.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 32' ' ' GLN . 5.0 p -89.81 158.84 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.736 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.15 -33.41 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.979 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.526 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.86 -28.55 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.75 -15.33 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.03 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -62.35 -35.19 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.983 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.45 -21.13 63.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.534 179.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.61 38.51 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.607 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.1 112.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.929 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 13.9 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.771 . . . . 1.0 110.343 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.826 0.346 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -110.62 -172.68 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.847 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 25.7 mtmm -67.08 154.33 41.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.164 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.37 1.88 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.754 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -89.76 116.64 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 1.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.573 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 13.1 m0 -41.28 139.65 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 18.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 62.7 m -93.67 103.78 15.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.3 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.482 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.7 p -38.56 150.04 0.21 Allowed Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.81 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.9 Cg_endo -78.03 7.85 21.48 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.618 -1.826 . . . . 1.0 112.129 -0.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 50.9 mtm -55.68 124.3 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.81 143.61 51.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.17 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.4 104.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.1 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 19' ' ' LYS . 22.6 t -104.82 162.61 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 5.2 t80 -103.22 151.22 22.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.049 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.7 -106.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.153 -0.314 . . . . 1.0 110.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.81 -69.17 0.09 Allowed 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -86.33 14.12 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 12.6 m-20 -148.13 91.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 36.5 tt0 -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.213 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 16.7 pt20 -61.07 -14.12 21.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.311 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.66 -167.1 0.05 OUTLIER Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.077 -0.809 . . . . 1.0 111.077 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -153.63 163.84 39.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.897 0.379 . . . . 1.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 62.9 m -73.66 120.99 20.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' HG21 ' A' ' 21' ' ' VAL . 71.6 mt-30 -147.92 127.71 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 21.9 p -58.61 163.51 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.055 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p -144.56 155.72 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.602 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.4 -41.15 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.244 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.9 p -64.07 -20.27 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -67.18 -14.07 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.165 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 80.2 mt -62.88 -32.53 73.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.821 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -63.22 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.614 179.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 14.8 pttp -126.63 38.31 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.572 -0.74 . . . . 1.0 109.68 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -37.16 114.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.723 -179.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.488 -0.767 . . . . 1.0 110.415 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.727 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 7.4 mtmt -104.5 171.61 7.24 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -64.99 151.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.258 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.16 5.32 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.846 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.7 m-80 -89.38 118.1 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 4.8 m0 -50.25 152.43 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.612 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.347 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m . . . . . 0 CA--C 1.521 -0.15 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' H ' ' HE2' ' A' ' 18' ' ' MET . 35.4 m -96.72 101.84 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.901 0.381 . . . . 1.0 110.782 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -39.71 148.41 0.3 Allowed Pre-proline 0 N--CA 1.462 0.13 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.568 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.1 Cg_endo -77.24 8.78 17.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 -1.788 . . . . 1.0 112.469 0.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.727 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.7 mtp -62.12 131.53 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 1.0 110.279 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -143.86 156.54 44.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.3 t -53.7 105.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.3 t -105.83 165.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.595 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 1.9 t80 -114.47 135.54 54.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.376 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.52 -105.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.102 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.59 -73.45 0.11 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.494 -0.558 . . . . 1.0 109.494 179.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.4 p90 -84.52 9.24 14.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.032 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.9 m-80 -136.15 84.32 2.07 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.4 tt0 -59.34 -22.0 60.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.599 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.6 pt20 -59.08 -22.0 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 51.05 -165.6 0.74 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -169.98 160.66 8.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 1.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 63.1 m -64.62 119.05 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.953 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.661 ' HB2' HG21 ' A' ' 21' ' ' VAL . 93.6 mt-30 -147.53 136.47 22.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.238 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -56.53 161.83 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.221 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.4 p -150.35 149.68 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.29 -35.04 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.34 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.18 -15.29 59.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.079 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 60.9 mt -62.61 -36.0 81.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.024 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.2 -21.71 66.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -127.11 38.48 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.543 179.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.01 116.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.938 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 13.4 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.437 -0.792 . . . . 1.0 110.351 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 110.079 -0.341 . . . . 1.0 110.079 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.704 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.55 179.5 4.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 1.0 109.986 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -65.38 143.48 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.389 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.98 12.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.697 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -95.97 117.76 31.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.482 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 5.5 m0 -53.81 148.88 9.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.945 0.402 . . . . 1.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.136 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.5 m . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.988 0.423 . . . . 1.0 109.977 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HB2' ' HE2' ' A' ' 18' ' ' MET . 55.0 m -95.87 98.9 10.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.879 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.7 p -35.75 147.93 0.16 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.983 -179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 47.1 Cg_endo -76.49 4.23 18.67 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.555 -1.852 . . . . 1.0 111.799 0.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.704 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.0 mtp -60.19 133.21 55.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.573 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.72 147.24 37.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.148 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 t -52.87 103.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.118 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 19' ' ' LYS . 94.9 t -108.76 167.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.499 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -105.97 157.93 17.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.992 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.627 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -114.15 -100.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.139 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.93 -79.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.975 -0.379 . . . . 1.0 109.975 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -86.12 13.49 7.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.404 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.0 m-20 -139.29 83.43 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.351 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.1 tt0 -58.59 -16.98 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -58.2 -16.61 14.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.223 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 46.59 -178.9 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -157.39 161.07 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 1.0 110.614 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 m -70.76 117.24 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.221 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -150.33 136.14 18.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.336 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 p -48.38 158.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.2 p -143.92 151.71 40.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -60.36 -39.96 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.234 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.492 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -64.56 -27.97 69.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -66.09 -15.41 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.007 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 90.5 mt -62.72 -35.35 79.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.081 -0.508 . . . . 1.0 109.794 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.615 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.28 -21.71 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.547 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -122.23 38.65 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.741 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.48 109.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.58 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 7.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.545 -0.741 . . . . 1.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.642 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.75 -178.94 3.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.058 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 24.4 mtmm -71.5 143.1 50.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.371 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 80.45 -4.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.736 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -94.83 123.05 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.57 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.9 m0 -40.03 157.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.21 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 1.0 110.269 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 CA--C 1.519 -0.224 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 63.8 m -94.1 95.69 9.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.025 0.441 . . . . 1.0 110.122 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 9.8 p -34.8 147.05 0.14 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.971 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 45.9 Cg_endo -75.35 3.16 15.56 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.45 -1.896 . . . . 1.0 111.872 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.642 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.8 mtp -58.74 135.53 57.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.9 tttp -133.53 146.07 50.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.037 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.1 105.23 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 22' ' ' TYR . 97.5 t -104.54 166.17 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.153 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 17.6 t80 -105.81 157.55 17.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.282 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.593 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -112.62 -101.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.176 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.7 -76.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.843 -0.429 . . . . 1.0 109.843 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.3 p90 -88.53 17.76 5.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.136 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 9.5 m-20 -145.18 89.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.069 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 36.0 tt0 -58.65 -24.86 62.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.518 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 28.4 pt20 -57.93 -16.72 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 43.03 -164.25 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.442 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -156.38 165.25 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 1.0 110.355 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 88.9 m -77.74 119.8 21.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.983 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 4.4 mt-30 -139.68 136.98 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0 110.565 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -64.65 110.04 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.273 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.7 p -95.38 151.9 18.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.61 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.73 -33.27 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.012 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.551 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 96.9 p -63.52 -28.73 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.12 -15.74 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.078 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 29.9 mt -61.94 -35.66 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.138 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.2 -21.03 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.686 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -130.37 40.94 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.806 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.2 tptm -33.59 101.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.775 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.4 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.512 -0.756 . . . . 1.0 110.344 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 CA--C 1.523 -0.094 0 N-CA-C 110.048 -0.352 . . . . 1.0 110.048 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.698 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.62 -177.49 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.977 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 12.7 mttm -69.61 142.06 53.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.468 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 76.71 15.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -101.57 117.69 35.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 1.0 110.491 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.613 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.5 m0 -40.99 137.13 1.31 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 1.0 110.515 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' GLN . 5.3 t . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 18' ' ' MET . 77.0 m . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 120.916 0.389 . . . . 1.0 109.986 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' CYS . 55.5 m -95.25 98.73 10.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.993 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.506 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 6.9 p -36.11 148.8 0.15 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.638 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.654 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.5 Cg_endo -77.96 7.32 21.88 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.584 -1.84 . . . . 1.0 112.042 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.698 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 3.6 mtp -62.14 127.06 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -131.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.023 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 m -49.27 109.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.907 -0.405 . . . . 1.0 109.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 19' ' ' LYS . 53.5 t -104.32 162.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.255 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' HG12 ' A' ' 21' ' ' VAL . 2.5 t80 -108.97 138.63 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.297 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.48 -106.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.02 -70.79 0.1 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.465 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -85.92 13.21 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.168 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 6.5 m-20 -144.04 87.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 34.3 tt0 -59.82 -20.66 58.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.384 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.613 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.9 pt20 -62.65 -12.76 25.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.472 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.05 -159.66 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -170.51 156.33 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.452 . . . . 1.0 110.728 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 80.8 m -64.56 113.69 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.266 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.625 ' HB2' HG21 ' A' ' 21' ' ' VAL . 40.3 mt-30 -145.46 130.74 18.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.228 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -56.45 169.33 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.7 p -150.31 156.8 42.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.76 -38.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.856 0.36 . . . . 1.0 110.094 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.59 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 17' ' ' PRO . . . -63.17 -17.74 62.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.982 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 87.8 mt -61.99 -37.9 86.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.043 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.27 -21.97 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 39.37 3.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.652 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE3' HD23 ' A' ' 38' ' ' LEU . 3.9 tttt -42.27 110.51 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.679 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.506 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.466 -0.778 . . . . 1.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.523 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.885 0.374 . . . . 1.0 110.674 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 3.0 mmmm -107.55 -170.64 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.96 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 10.0 mttt -73.81 155.42 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 1.0 110.28 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.84 3.61 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.684 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.8 119.04 29.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 1.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 9.3 m0 -45.86 144.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.626 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 11.7 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.433 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' MET . 16.7 m . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.856 0.36 . . . . 1.0 110.185 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 18' ' ' MET . 95.8 m -92.68 100.11 12.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.252 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.9 p -36.57 148.49 0.18 Allowed Pre-proline 0 CA--C 1.52 -0.202 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.031 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 45.7 Cg_endo -78.23 8.55 21.42 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.667 -1.806 . . . . 1.0 112.325 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.523 ' CE ' ' O ' ' A' ' 2' ' ' ALA . 41.7 mtm -55.4 119.06 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 144.32 44.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.62 105.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.998 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 23.4 t -104.63 157.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.489 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -107.61 155.7 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.134 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.635 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -120.74 -104.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -162.75 -81.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 1.0 110.214 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 1.4 p90 -58.68 -16.87 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.087 0.47 . . . . 1.0 110.124 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.3 p30 -129.41 84.41 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.72 -0.673 . . . . 1.0 109.551 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -55.98 -21.23 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.493 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.1 pt20 -59.28 -13.02 6.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.645 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.44 -172.69 0.11 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -151.49 161.96 41.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.91 0.386 . . . . 1.0 110.162 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -77.45 120.75 22.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -147.67 127.28 13.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 1.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 33.6 p -62.22 116.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.181 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.0 p -100.01 159.58 14.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.539 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.02 -33.4 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.918 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.521 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.1 p -63.84 -29.3 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.91 -16.05 60.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.698 . . . . 1.0 109.983 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.3 mt -62.28 -36.72 82.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.984 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.61 -21.12 64.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 1.0 109.618 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.5 ptmm? -124.51 39.46 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.95 113.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.904 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 20.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.397 -0.811 . . . . 1.0 110.378 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.798 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 173.43 6.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.0 mtmp? -64.08 145.15 56.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.16 8.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.0 m-80 -95.18 118.33 31.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 1.0 110.45 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 8.9 m0 -50.77 142.94 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.441 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' H ' ' HE2' ' A' ' 18' ' ' MET . 22.4 m -97.0 101.8 13.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.403 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.461 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.1 p -38.05 149.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.528 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -77.52 5.93 21.29 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 -1.805 . . . . 1.0 112.004 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.798 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mtp -58.35 125.52 23.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.352 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.9 ttmt -133.12 146.43 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.208 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.81 101.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 1.0 109.964 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.7 t -104.51 166.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 18.6 t80 -103.34 159.24 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.055 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -115.37 -100.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.55 -79.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.601 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -86.0 13.68 7.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.294 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.601 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 15.4 m-20 -139.89 86.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.987 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 31.9 tt0 -58.52 -20.9 50.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 2.5 pt20 -59.22 -18.87 40.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.8 -166.58 0.08 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -164.65 162.66 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 1.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 64.6 m -68.78 116.27 9.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.051 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mt-30 -144.69 135.7 24.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 p -54.62 157.24 3.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -148.59 150.51 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.509 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.75 -34.04 60.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.102 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.88 -28.67 70.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.14 -14.75 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.121 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 50.6 mt -62.39 -34.09 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 1.0 109.969 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -62.73 -22.44 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 11.0 pttp -126.05 39.08 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.674 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.89 104.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.733 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.1 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.718 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 13.8 mmtt -104.49 179.2 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.0 109.999 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -70.8 147.89 48.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.26 -7.54 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.686 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.441 ' ND2' ' HB2' ' A' ' 3' ' ' LYS . 50.0 m-80 -89.89 122.75 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.221 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 8.0 m0 -44.08 165.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 1.0 110.773 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.52 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 18' ' ' MET . 29.4 m . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.882 0.372 . . . . 1.0 110.031 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' H ' ' HE2' ' A' ' 18' ' ' MET . 51.4 m -95.0 99.41 11.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.302 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -37.14 148.72 0.19 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.709 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.0 Cg_endo -76.42 4.31 18.36 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.627 -1.822 . . . . 1.0 111.962 -0.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.718 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.5 mtp -56.33 122.08 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.0 tttp -125.79 153.66 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.16 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.46 111.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.134 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 32' ' ' GLN . 15.6 t -105.56 150.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.446 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 2.1 t80 -107.81 137.1 46.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.27 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.76 -105.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.094 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.89 -72.71 0.11 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 26' ' ' ASN . 3.8 p90 -81.98 5.95 17.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.576 . . . . 1.0 109.953 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 1.6 m-80 -133.86 82.93 2.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.931 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 28.7 tt0 -60.59 -25.38 66.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.153 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.622 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 8.8 pt20 -58.87 -16.54 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.224 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.96 -170.53 0.04 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -156.31 159.96 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 1.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.8 m -74.56 126.13 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.898 ' HB2' HG21 ' A' ' 21' ' ' VAL . 96.0 mt-30 -149.72 143.24 25.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.388 . . . . 1.0 110.682 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.3 p -91.53 150.78 21.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.773 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.58 -34.5 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 1.0 109.996 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.7 -29.28 70.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.06 -16.2 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.99 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 86.3 mt -62.18 -36.79 82.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.931 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.02 -22.3 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.544 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.1 ptmm? -121.45 38.65 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.576 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -33.66 115.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.89 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.464 -0.779 . . . . 1.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.564 ' O ' ' HE1' ' A' ' 18' ' ' MET . . . . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.822 0.344 . . . . 1.0 110.381 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -121.93 177.17 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.179 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CB ' ' HD2' ' A' ' 5' ' ' ARG . 13.7 mtpp -67.82 149.91 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HD2' ' CB ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 71.89 17.46 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' SER . 2.5 m-80 -95.66 125.25 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.467 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.08 122.47 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.275 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 120.953 0.406 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.679 ' H ' ' HE2' ' A' ' 18' ' ' MET . 62.3 m -93.5 92.45 7.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.49 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.4 p -35.15 146.72 0.17 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.544 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.8 Cg_endo -81.11 12.12 28.2 Favored 'Cis proline' 0 C--O 1.23 0.117 0 C-N-CA 122.74 -1.775 . . . . 1.0 112.146 0.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.679 ' HE2' ' H ' ' A' ' 15' ' ' CYS . 19.9 mtp -52.04 120.54 5.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.444 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -124.51 135.88 53.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.953 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 11.4 t -48.41 110.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 19' ' ' LYS . 70.5 t -110.39 160.66 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.546 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 9.7 t80 -107.15 154.21 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.095 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -110.11 -103.45 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.195 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.39 -71.61 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.906 -0.405 . . . . 1.0 109.906 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -87.47 16.52 5.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.229 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.562 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 36.7 m-20 -150.29 93.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.891 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 19.1 tt0 -58.49 -30.16 66.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 25.5 pt20 -55.52 -19.52 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' TRP . . . 40.92 -160.12 0.02 OUTLIER Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.1 p -156.26 163.37 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 1.0 110.316 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 32.6 m -75.63 127.63 33.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 21' ' ' VAL . 65.1 mt-30 -146.48 128.54 15.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.959 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.497 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 52.2 p -51.26 105.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 19' ' ' LYS . 37.1 p -89.45 151.78 21.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.667 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.25 -34.17 59.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.086 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.495 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -63.44 -29.94 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -16.39 60.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.077 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -61.95 -36.99 83.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.599 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.68 -20.47 56.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.9 ptmt -127.46 39.97 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -31.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.889 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.443 -0.789 . . . . 1.0 110.484 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 8.8 mptt -104.56 -178.0 3.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mtpt -69.1 142.71 54.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.14 12.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.53 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 5.4 m-80 -103.93 117.96 35.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.601 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.541 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.52 136.64 16.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.082 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.313 -179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' MET . 7.6 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.884 0.373 . . . . 1.0 110.391 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 18' ' ' MET . 22.2 m -94.86 105.36 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.315 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.465 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.0 p -38.29 149.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.53 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.4 Cg_endo -76.96 5.04 19.51 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.595 -1.836 . . . . 1.0 111.716 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.468 ' SD ' ' HG3' ' A' ' 4' ' ' LYS . 1.5 mtp -62.76 130.45 44.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.31 154.16 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.933 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -63.35 121.43 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 91.2 t -115.49 157.72 16.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.063 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.1 t80 -108.48 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.489 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.97 -102.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.932 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -154.68 -76.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.462 -0.569 . . . . 1.0 109.462 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.6 p90 -81.27 4.94 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.172 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.5 m-80 -128.94 78.02 1.83 Allowed 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.203 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 44.4 tt0 -60.47 -15.17 24.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 1.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.541 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 13.6 pt20 -66.6 -9.26 33.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.535 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 48.24 -177.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.111 -0.795 . . . . 1.0 111.111 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -153.39 154.71 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.21 0.529 . . . . 1.0 110.535 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 82.5 m -79.45 121.3 25.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.408 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -149.77 142.67 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -62.59 104.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 40.2 p -90.25 152.21 21.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.637 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.07 -34.31 62.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 1.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.497 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -63.74 -29.09 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.91 -16.77 60.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.0 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 53.2 mt -61.93 -38.76 89.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.052 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.609 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -60.47 -22.79 63.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.51 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -123.85 39.57 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.702 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.3 mmtt -33.84 112.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.57 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 5.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.314 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.1 -0.333 . . . . 1.0 110.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.742 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.56 174.64 5.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.102 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 5.6 mtpp -66.68 144.66 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.13 11.12 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.465 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -91.2 121.02 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.564 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 5.3 m0 -59.98 132.8 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.406 . . . . 1.0 110.437 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' H ' ' HE2' ' A' ' 18' ' ' MET . 54.1 m -94.9 98.63 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.908 0.385 . . . . 1.0 110.41 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.485 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.3 p -37.39 148.7 0.2 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.719 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 45.4 Cg_endo -75.88 4.31 16.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.555 -1.852 . . . . 1.0 112.042 -0.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.742 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.3 mtp -56.7 128.83 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.345 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -133.47 136.81 45.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.41 103.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.91 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 19' ' ' LYS . 62.7 t -104.39 166.03 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -108.49 160.4 15.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.299 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.643 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -122.5 -105.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.038 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -165.78 -71.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 1.0 109.917 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.586 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 10.9 p90 -69.78 -6.68 33.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.311 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 4.7 p30 -141.62 87.27 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.794 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 6.8 tt0 -57.13 -18.48 15.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.564 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 21.1 pt20 -62.3 -11.75 16.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.623 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.99 -167.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -164.47 161.03 21.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.361 . . . . 1.0 110.631 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 77.8 m -68.4 118.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.219 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -146.54 133.15 19.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -53.87 165.05 0.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.308 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 19.8 p -150.37 151.89 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.497 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.56 -38.09 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.405 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.21 -24.46 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.75 -16.17 62.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 1.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 36.0 mt -62.42 -37.04 84.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.972 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.628 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.6 -22.07 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.589 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.35 37.74 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.688 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.2 mmtt -36.41 116.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.759 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.468 -0.777 . . . . 1.0 110.505 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 6.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.865 0.364 . . . . 1.0 110.092 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.41 161.95 30.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.874 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.774 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.65 178.18 4.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.149 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.7 mtpm? -67.44 143.39 56.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.439 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.12 18.22 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 30' ' ' SER . 4.2 m-80 -98.84 124.87 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.537 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD1' ' CB ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -54.35 135.96 44.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.383 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' GLN . 51.9 t -102.71 155.22 18.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.181 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.05 -123.93 0.69 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.647 -0.981 . . . . 1.0 110.647 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 134.62 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -174.03 -47.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.977 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.31 153.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.783 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 18' ' ' MET . 5.8 m -107.81 -175.75 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.814 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' H ' ' HE2' ' A' ' 18' ' ' MET . 26.2 m -97.58 102.13 13.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.44 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p -37.41 147.87 0.22 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.64 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 47.1 Cg_endo -77.33 6.98 19.33 Favored 'Cis proline' 0 C--N 1.342 0.226 0 C-N-CA 122.725 -1.781 . . . . 1.0 112.163 0.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.774 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.5 mtp -60.65 126.0 25.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.671 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.775 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tttt -133.79 144.72 49.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.131 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 m -50.81 119.47 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 1.0 110.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LYS . 77.9 t -120.27 170.06 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.254 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' N ' HG12 ' A' ' 21' ' ' VAL . 6.7 t80 -113.07 146.37 39.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.794 0.33 . . . . 1.0 110.342 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -98.81 -102.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.05 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -152.74 -83.26 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.63 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -81.58 5.72 17.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.283 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.63 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.1 m-20 -132.78 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.514 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.0 tt0 -51.59 -20.86 2.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.041 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' CB ' ' CD1' ' A' ' 7' ' ' TRP . 5.8 mm-40 -40.36 -33.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.287 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 63.3 169.91 1.35 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.563 -1.015 . . . . 1.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -148.58 152.68 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.134 0.492 . . . . 1.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 70.8 m -73.08 118.69 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.153 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -147.87 135.43 20.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 24.3 p -53.75 111.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 79.7 p -89.76 153.76 20.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.562 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.47 -42.43 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.082 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.433 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -62.65 -18.12 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.58 -18.62 62.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.013 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 84.5 mt -62.03 -39.57 92.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.85 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -61.37 -21.63 64.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.588 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -125.48 39.43 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.852 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -34.45 112.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.749 -179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 9.0 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.445 -0.788 . . . . 1.0 110.321 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.09 162.63 28.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.939 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.755 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.53 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 1.0 109.962 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 2.4 mttp -68.87 146.32 52.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.448 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 76.25 11.77 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' SER . 3.4 m-80 -93.4 121.93 35.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.545 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 6.7 m0 -52.54 128.35 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -173.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.3 -144.78 15.35 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.321 -1.112 . . . . 1.0 110.321 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.4 tttp -61.37 -73.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.934 -0.395 . . . . 1.0 109.934 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' LYS . 40.3 p 33.89 -150.8 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.42 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -147.94 66.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 1.0 110.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.44 150.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.753 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 8.7 m -86.52 -175.25 5.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 1.0 109.966 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' H ' ' HE2' ' A' ' 18' ' ' MET . 28.6 m -98.39 100.66 11.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.499 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.2 p -38.41 147.41 0.26 Allowed Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.7 Cg_endo -77.54 8.69 18.37 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.789 -1.755 . . . . 1.0 112.566 0.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.755 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 11.1 mtp -60.42 128.54 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.656 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -136.53 148.86 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.209 179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.7 t -49.11 109.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 19' ' ' LYS . 51.7 t -110.82 166.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 27' ' ' GLU . 16.5 t80 -102.15 159.66 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.042 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.05 -105.29 0.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.215 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.11 -79.58 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.901 -0.407 . . . . 1.0 109.901 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -86.8 15.29 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.338 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 28.0 m-20 -142.69 90.28 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.703 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . 5.3 tt0 -57.58 -22.93 47.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.758 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 18.6 pt20 -59.72 -15.02 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 1.0 110.57 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 44.39 -167.31 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -156.39 160.5 39.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.403 . . . . 1.0 110.519 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 71.5 m -70.03 120.85 16.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.079 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -147.85 133.85 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.463 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.506 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 22.0 p -64.44 113.78 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.1 p -96.86 159.29 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.544 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -34.71 67.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.878 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.438 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.6 p -63.39 -19.67 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.1 -16.69 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.099 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 77.2 mt -62.41 -37.53 86.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.759 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.595 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.12 -22.13 66.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.505 179.417 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -128.94 37.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.762 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.12 112.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.757 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 10.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 1.0 110.238 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.548 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.5 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -144.64 -169.81 3.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.098 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.606 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -113.57 -172.83 2.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.054 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' N ' ' SD ' ' A' ' 18' ' ' MET . 32.8 mtmt -70.38 148.34 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.146 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.58 4.48 2.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.476 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.9 m-80 -89.37 176.77 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.682 -0.488 . . . . 1.0 109.682 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.589 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.1 m0 -91.26 149.83 21.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.669 0.271 . . . . 1.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t -36.15 133.57 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.322 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 10' ' ' LYS . . . -64.65 -79.92 0.16 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 80.58 -52.78 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 1.0 109.94 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -49.84 -50.58 44.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.938 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 41.3 mm-40 -137.31 -60.75 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.407 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 156.86 134.64 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.431 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 72.9 m -48.43 175.02 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.5 m -96.82 101.27 12.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 1.0 110.183 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -36.88 148.32 0.19 Allowed Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.951 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 33' ' ' SER . 47.4 Cg_endo -77.19 6.24 19.42 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 -1.814 . . . . 1.0 112.231 -0.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.606 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 50.4 mtm -54.93 121.25 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.543 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 ttpt -120.85 138.51 54.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.474 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -63.32 105.01 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.123 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 22' ' ' TYR . 78.5 t -104.91 166.54 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.628 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' N ' HG12 ' A' ' 21' ' ' VAL . 1.5 t80 -104.59 130.34 52.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.178 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.99 -102.73 0.1 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.035 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -156.51 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.435 -0.579 . . . . 1.0 109.435 179.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.629 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.7 p90 -83.06 7.63 15.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.033 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.629 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.4 m-80 -132.87 81.62 1.95 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.221 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 56.3 tt0 -60.0 -14.1 14.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.202 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.589 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 3.1 pt20 -71.41 -2.23 15.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.687 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.13 -175.28 0.02 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.9 p -151.95 158.87 43.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.889 0.376 . . . . 1.0 110.584 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.2 m -79.45 116.52 19.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.773 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -147.42 125.41 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.542 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HG2' ' A' ' 17' ' ' PRO . 3.1 p -61.65 113.24 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 26.2 p -94.28 154.71 17.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.576 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.35 -34.38 64.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.184 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.536 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -64.1 -28.63 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.4 -13.67 59.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.096 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.0 mt -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -63.71 -21.03 66.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 8.1 ptmt -124.85 36.99 4.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.474 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.0 mmtt -33.53 114.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.985 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.491 -0.766 . . . . 1.0 110.355 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -146.07 -175.98 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.222 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -105.0 -171.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.015 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mttp -70.73 147.15 49.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.31 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.98 4.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.895 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-80 -89.96 161.02 16.1 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.143 -0.318 . . . . 1.0 110.143 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.572 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 5.1 m0 -90.76 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.195 -0.298 . . . . 1.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 36.0 m -71.42 -164.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 1.0 110.528 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' LYS . . . -179.23 38.75 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 9' ' ' GLY . 3.3 ttpp 67.1 -79.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 1.0 110.182 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 4.8 t -63.31 160.61 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.18 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 65.07 114.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.48 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.99 42.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.237 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 76.6 m 54.25 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.216 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.2 m -97.73 99.05 10.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.12 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.519 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -37.05 149.35 0.18 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.1 Cg_endo -77.59 6.24 21.3 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.609 -1.829 . . . . 1.0 111.905 -0.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 38.5 mtm -54.71 118.73 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.629 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 135.76 54.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.899 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.31 118.98 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 1.0 110.23 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.495 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 t -108.3 156.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.142 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.92 125.93 49.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.967 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 -104.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.762 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -153.5 -74.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -82.07 5.03 20.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.923 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.546 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -128.16 77.98 1.8 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.309 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -14.51 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.572 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 7.1 pt20 -71.64 -1.72 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 43.06 -171.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -156.78 158.01 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.174 0.512 . . . . 1.0 111.236 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.6 m -73.97 112.48 10.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.328 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -147.39 120.04 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.451 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -61.3 119.4 8.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.389 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.637 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.8 p -92.91 160.91 14.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.689 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.54 -43.85 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.198 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.8 p -63.08 -19.87 64.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.95 -15.78 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.242 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.56 -35.63 80.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.993 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -62.96 -18.78 63.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.791 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -127.61 38.95 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.818 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.28 102.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.799 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.7 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.506 -0.759 . . . . 1.0 110.46 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.23 168.32 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 1.0 109.991 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.624 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 175.76 5.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.3 mtmp? -65.33 145.07 56.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.91 0.386 . . . . 1.0 110.478 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.523 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.43 14.19 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.717 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.6 m-80 -96.38 118.03 32.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.47 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 28' ' ' GLN . 6.9 m0 -43.35 143.62 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.45 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 46.4 t -101.45 -55.96 2.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.79 79.43 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.2 OUTLIER 60.58 -161.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 110.353 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 10' ' ' LYS . 28.8 p 44.12 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -160.43 136.43 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.377 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.3 m-20 164.7 97.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 1.0 111.001 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 62.1 m -135.54 176.69 8.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.781 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.9 m -95.05 98.01 10.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.328 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 4.4 p -37.21 148.34 0.2 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.644 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 46.5 Cg_endo -78.1 7.29 22.56 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 -1.802 . . . . 1.0 112.019 0.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.624 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 8.0 mtp -58.88 125.73 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.833 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.9 ttmt -132.28 143.33 49.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.156 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.99 102.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 1.0 110.174 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.9 t -104.44 173.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.337 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.627 ' H ' HG12 ' A' ' 21' ' ' VAL . 16.6 t80 -105.87 156.71 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.045 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.43 -100.84 0.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.014 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -156.63 -76.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.924 -0.398 . . . . 1.0 109.924 179.431 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.2 p90 -88.95 19.12 4.3 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.207 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.536 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 48.4 m-20 -147.35 89.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 35.0 tt0 -58.87 -22.66 59.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 7' ' ' TRP . 1.4 pt20 -58.04 -16.32 12.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.57 -160.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -171.15 163.34 7.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 1.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 80.8 m -62.15 111.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.181 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 29.9 mt-30 -140.13 131.53 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.856 0.36 . . . . 1.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -54.23 150.75 8.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.97 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -143.49 152.57 41.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.95 -32.71 55.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.011 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.8 p -63.85 -28.84 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.04 -14.68 61.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.136 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 35.6 mt -62.37 -34.47 76.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.01 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.38 -21.98 65.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 5.3 pttp -126.66 37.74 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.587 -0.733 . . . . 1.0 109.569 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.38 100.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.832 -179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.5 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.47 -0.776 . . . . 1.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.23 163.3 29.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.053 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.733 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.4 OUTLIER -104.69 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 46.8 mtmt -67.67 148.12 51.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.3 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.521 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.52 8.8 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.593 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.5 m-80 -93.41 119.38 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.462 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.505 ' CZ3' ' NE2' ' A' ' 28' ' ' GLN . 3.3 m0 -46.28 156.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.457 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.8 t -112.5 158.53 19.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.14 -135.07 1.97 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.744 -0.943 . . . . 1.0 110.744 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -114.07 118.63 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 1.0 110.468 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m 64.04 95.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -161.91 -44.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.975 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.0 OUTLIER 62.8 144.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.978 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' MET . 27.7 m -110.05 176.01 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.529 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' H ' ' HE2' ' A' ' 18' ' ' MET . 57.2 m -95.1 102.75 14.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 1.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.532 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -38.55 149.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.616 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.8 Cg_endo -76.41 4.14 18.49 Favored 'Cis proline' 0 C--N 1.342 0.216 0 C-N-CA 122.458 -1.892 . . . . 1.0 111.83 -0.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.733 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -57.93 124.29 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.285 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 ttmm -130.69 148.92 52.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 t -50.39 101.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 19' ' ' LYS . 80.8 t -104.26 165.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.467 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 21.4 t80 -108.37 159.03 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.325 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.637 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -119.5 -106.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.252 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -166.28 -65.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 14.0 p90 -76.26 1.01 17.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.421 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -149.74 94.33 2.16 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.6 tt0 -57.49 -23.24 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.96 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.505 ' NE2' ' CZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -62.53 -12.23 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 1.0 110.659 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 42.43 -167.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -156.89 165.3 36.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.0 m -69.31 119.95 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.197 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -144.16 136.71 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.619 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.08 112.32 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.42 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 81.0 p -89.86 150.92 22.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.34 -36.89 75.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.156 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.516 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.33 -29.58 70.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -17.56 62.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.09 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.756 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 97.6 mt -60.92 -36.81 80.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.145 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.28 -26.62 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -122.41 37.99 4.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.619 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.756 ' NZ ' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -38.6 120.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.722 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 7.9 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.472 -0.775 . . . . 1.0 110.584 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.525 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.96 169.13 18.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.032 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.691 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.58 178.91 4.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.927 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' CD ' ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -64.15 142.76 58.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.368 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.3 13.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.802 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -96.78 117.4 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.539 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.555 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 7.0 m0 -53.8 150.19 7.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.51 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.1 m -90.34 134.99 33.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.077 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.65 45.4 0.08 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' OE2' ' A' ' 12' ' ' GLU . 13.6 ttmt -174.7 161.63 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 1.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p -77.25 102.71 6.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' OE2' ' HB3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -179.5 148.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.397 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.8 p-10 -100.31 38.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.123 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.2 m 46.82 -177.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.12 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 50.9 m -96.38 99.01 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.948 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.3 p -35.71 147.88 0.16 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.004 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 46.5 Cg_endo -76.83 4.47 19.63 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.536 -1.86 . . . . 1.0 111.709 0.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.691 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.2 mtp -60.17 132.19 53.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.565 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.112 179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -53.72 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.322 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.5 t -105.02 165.55 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.588 ' N ' HG12 ' A' ' 21' ' ' VAL . 3.7 t80 -106.83 146.78 30.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.192 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -108.38 -111.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.076 -0.342 . . . . 1.0 110.076 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -150.69 -71.23 0.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 p90 -86.53 13.9 7.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.313 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 5.2 m-80 -141.91 80.65 1.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.106 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.533 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 38.3 tt0 -60.5 -16.77 40.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.737 0.303 . . . . 1.0 110.246 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -62.39 -12.45 21.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.261 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 48.5 178.61 0.01 OUTLIER Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -159.26 162.89 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 1.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.9 m -72.47 117.02 13.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -150.7 135.09 17.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.316 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.5 p -48.53 157.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 1.0 109.961 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 27.6 p -143.65 152.15 41.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 1.0 110.507 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.3 -39.75 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.3 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.53 -28.25 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -65.93 -15.45 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.016 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 88.3 mt -62.48 -35.8 80.49 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.855 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -63.23 -22.2 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.528 179.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -121.4 38.53 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.753 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.33 109.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.636 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 8.0 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.631 -0.699 . . . . 1.0 110.399 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.553 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.4 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.522 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -150.28 -173.87 4.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.268 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.599 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -107.77 -172.68 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.138 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 19.7 mttp -69.18 148.26 50.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.186 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.24 6.35 3.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.467 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 30' ' ' SER . 3.1 m-80 -89.78 174.98 7.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.186 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.608 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.4 m0 -95.26 149.29 21.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.387 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 4.0 t -108.18 92.7 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.466 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.2 -143.45 3.2 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' THR . 0.2 OUTLIER -111.18 160.36 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.426 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t 36.06 60.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.473 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 5.9 pt-20 -178.33 70.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -53.12 168.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 78.3 m -87.16 177.68 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.862 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.553 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 57.6 m -95.59 101.74 13.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.948 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 7.9 p -37.18 149.32 0.18 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.816 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.6 Cg_endo -77.74 5.95 22.3 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.577 -1.843 . . . . 1.0 111.859 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.599 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 41.7 mtm -53.95 119.52 5.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.384 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -111.34 138.66 47.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.219 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.7 t -62.75 104.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' LYS . 9.6 t -104.12 164.65 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.396 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 23.5 t80 -102.75 160.3 14.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.144 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.631 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -118.23 -99.93 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.132 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.65 -79.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 1.2 p90 -86.13 12.86 8.76 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 12.7 m-20 -136.52 85.48 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.971 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.591 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 33.0 tt0 -59.34 -23.31 62.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.462 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 9.2 pt20 -59.26 -15.1 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.84 -173.63 0.1 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -143.26 161.23 38.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 1.0 110.461 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 83.7 m -82.18 114.98 21.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.112 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.13 125.37 11.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.83 0.347 . . . . 1.0 110.536 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -45.72 161.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.912 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 75.7 p -142.41 157.09 45.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 1.0 110.478 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -60.84 -41.57 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.5 p -64.35 -23.63 67.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.57 -17.39 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.852 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 38' ' ' LEU . 76.7 mt -62.02 -39.11 91.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.911 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.526 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -59.43 -21.64 60.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.611 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -131.51 41.52 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.741 179.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.88 95.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.665 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.6 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.481 -0.771 . . . . 1.0 110.437 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.554 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 4.8 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.525 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -150.4 -175.89 5.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 1.0 110.604 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 1.4 mptp? -105.62 -171.65 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.1 mtmm -74.77 155.25 37.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 73.84 5.04 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.802 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -91.74 117.29 29.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 1.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.594 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 10.7 m0 -43.37 148.44 0.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.358 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 62.7 m -69.19 -33.67 73.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -36.14 -63.41 0.65 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.548 -1.021 . . . . 1.0 110.548 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -47.57 106.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 1.0 110.242 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.64 HG23 ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER 48.24 -171.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.237 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' N ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -112.88 165.43 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.503 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 50.61 173.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.259 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -145.64 -161.99 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.412 179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 73.5 m -91.69 97.7 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.462 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -34.19 146.93 0.13 Allowed Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.804 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 45.8 Cg_endo -81.01 11.25 29.59 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.816 -1.743 . . . . 1.0 112.074 0.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 15' ' ' CYS . 29.6 mtm -54.03 120.06 5.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.7 ttpt -124.3 144.35 50.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 43.8 t -59.55 115.98 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.096 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 19' ' ' LYS . 50.2 t -113.06 161.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.503 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.9 t80 -108.22 139.85 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.13 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.42 -103.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.13 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.34 -75.31 0.08 Allowed 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.831 -0.433 . . . . 1.0 109.831 179.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 2.3 p90 -79.77 4.25 16.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.36 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m-20 -135.98 82.3 1.94 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.153 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 19.1 tt0 -59.3 -15.83 18.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.594 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.8 pt20 -62.74 -12.16 22.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.371 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 44.67 -175.43 0.01 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -158.4 163.93 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.465 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.9 m -76.2 126.43 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.977 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 34' ' ' THR . 63.9 mt-30 -150.58 126.4 10.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.164 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -63.32 100.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 109.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 32' ' ' GLN . 5.0 p -89.81 158.84 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.736 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.15 -33.41 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.979 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.526 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.86 -28.55 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.75 -15.33 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.03 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -62.35 -35.19 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.983 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.45 -21.13 63.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.534 179.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.61 38.51 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 1.0 109.607 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.1 112.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.929 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' CYS . 13.9 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.771 . . . . 1.0 110.343 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.548 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.0 t . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' O ' ' HE3' ' A' ' 18' ' ' MET . . . -156.01 -167.41 2.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 1.0 110.297 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HA ' ' CE ' ' A' ' 18' ' ' MET . 0.1 OUTLIER -110.62 -172.68 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.847 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 25.7 mtmm -67.08 154.33 41.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.164 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 79.37 1.88 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.754 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -89.76 116.64 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 1.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.573 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 13.1 m0 -41.28 139.65 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 18.7 t -50.78 -71.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.8 164.89 0.35 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -48.99 155.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.66 0.267 . . . . 1.0 110.44 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.6 m 86.5 -42.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.313 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.8 pt-20 35.41 46.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.469 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' HG22 ' A' ' 11' ' ' THR . 11.1 p-10 -110.19 60.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.533 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 13.3 m -63.07 177.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 62.7 m -93.67 103.78 15.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.3 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.482 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 1.7 p -38.56 150.04 0.21 Allowed Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.81 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 47.9 Cg_endo -78.03 7.85 21.48 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.618 -1.826 . . . . 1.0 112.129 -0.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.532 ' CE ' ' HA ' ' A' ' 3' ' ' LYS . 50.9 mtm -55.68 124.3 16.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.81 143.61 51.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.17 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.4 104.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.1 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 19' ' ' LYS . 22.6 t -104.82 162.61 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 5.2 t80 -103.22 151.22 22.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.049 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -111.7 -106.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.153 -0.314 . . . . 1.0 110.153 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.81 -69.17 0.09 Allowed 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -86.33 14.12 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 12.6 m-20 -148.13 91.81 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.879 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 36.5 tt0 -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.213 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 16.7 pt20 -61.07 -14.12 21.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.311 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.66 -167.1 0.05 OUTLIER Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.077 -0.809 . . . . 1.0 111.077 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -153.63 163.84 39.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.897 0.379 . . . . 1.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 62.9 m -73.66 120.99 20.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' HG21 ' A' ' 21' ' ' VAL . 71.6 mt-30 -147.92 127.71 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.369 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.473 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 21.9 p -58.61 163.51 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.055 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p -144.56 155.72 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.602 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.4 -41.15 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.244 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.9 p -64.07 -20.27 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.495 -0.557 . . . . 1.0 109.495 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -67.18 -14.07 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.165 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 80.2 mt -62.88 -32.53 73.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.821 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -63.22 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.614 179.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 14.8 pttp -126.63 38.31 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.572 -0.74 . . . . 1.0 109.68 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -37.16 114.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.723 -179.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 10.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.488 -0.767 . . . . 1.0 110.415 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.911 0.386 . . . . 1.0 110.036 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.78 159.13 36.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.767 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.727 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 7.4 mtmt -104.5 171.61 7.24 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -64.99 151.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.258 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.16 5.32 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.846 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 2.7 m-80 -89.38 118.1 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 4.8 m0 -50.25 152.43 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.612 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -103.35 155.1 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.347 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.77 101.42 0.17 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.62 -169.05 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 1.0 110.577 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 p -68.31 105.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.429 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 4.3 mt-10 -125.95 -171.43 2.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.992 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 12' ' ' GLU . 64.3 m-20 -137.73 122.3 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 1.0 111.599 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 22.5 m -105.45 175.13 5.6 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.617 -0.883 . . . . 1.0 108.617 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' H ' ' HE2' ' A' ' 18' ' ' MET . 35.4 m -96.72 101.84 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.901 0.381 . . . . 1.0 110.782 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.1 p -39.71 148.41 0.3 Allowed Pre-proline 0 N--CA 1.462 0.13 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.568 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.1 Cg_endo -77.24 8.78 17.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 -1.788 . . . . 1.0 112.469 0.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.727 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.7 mtp -62.12 131.53 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 1.0 110.279 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -143.86 156.54 44.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.3 t -53.7 105.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.276 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.3 t -105.83 165.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.595 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 1.9 t80 -114.47 135.54 54.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.376 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.52 -105.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.102 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.59 -73.45 0.11 Allowed 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.494 -0.558 . . . . 1.0 109.494 179.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.4 p90 -84.52 9.24 14.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.032 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.9 m-80 -136.15 84.32 2.07 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 30.4 tt0 -59.34 -22.0 60.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.599 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.6 pt20 -59.08 -22.0 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 51.05 -165.6 0.74 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -169.98 160.66 8.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.777 0.322 . . . . 1.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 63.1 m -64.62 119.05 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.953 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.661 ' HB2' HG21 ' A' ' 21' ' ' VAL . 93.6 mt-30 -147.53 136.47 22.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.238 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -56.53 161.83 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.221 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.4 p -150.35 149.68 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.29 -35.04 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.146 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.7 p -63.34 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -64.18 -15.29 59.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.079 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 60.9 mt -62.61 -36.0 81.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.024 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -63.2 -21.71 66.4 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -127.11 38.48 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.543 179.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.01 116.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.938 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 13.4 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.437 -0.792 . . . . 1.0 110.351 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.525 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.7 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.49 14.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.079 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.704 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.55 179.5 4.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 1.0 109.986 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -65.38 143.48 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.389 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 77.98 12.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.697 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -95.97 117.76 31.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.482 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 5.5 m0 -53.81 148.88 9.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.945 0.402 . . . . 1.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -89.7 133.83 34.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.136 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.58 45.98 0.1 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HB3' ' OE2' ' A' ' 12' ' ' GLU . 13.9 ttmt -176.55 161.98 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 1.0 110.477 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.0 p -76.37 103.53 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' OE2' ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -179.31 147.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.35 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' CYS . 1.4 p-10 -99.47 37.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.171 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 18' ' ' MET . 60.5 m 47.09 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.977 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.0 m -95.87 98.9 10.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.879 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 6.7 p -35.75 147.93 0.16 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.983 -179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 16' ' ' CYS . 47.1 Cg_endo -76.49 4.23 18.67 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.555 -1.852 . . . . 1.0 111.799 0.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.704 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 4.0 mtp -60.19 133.21 55.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.573 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -141.72 147.24 37.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.148 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 t -52.87 103.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.118 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 19' ' ' LYS . 94.9 t -108.76 167.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.499 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -105.97 157.93 17.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.992 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.627 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -114.15 -100.35 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.139 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -154.93 -79.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.975 -0.379 . . . . 1.0 109.975 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -86.12 13.49 7.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.404 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 18.0 m-20 -139.29 83.43 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.351 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 39.1 tt0 -58.59 -16.98 18.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -58.2 -16.61 14.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.223 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . 46.59 -178.9 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -157.39 161.07 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 1.0 110.614 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 m -70.76 117.24 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.221 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -150.33 136.14 18.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.336 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 p -48.38 158.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.2 p -143.92 151.71 40.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -60.36 -39.96 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.234 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -64.56 -27.97 69.32 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -66.09 -15.41 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.007 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 90.5 mt -62.72 -35.35 79.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.081 -0.508 . . . . 1.0 109.794 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.615 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -63.28 -21.71 66.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.547 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -122.23 38.65 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 1.0 109.741 179.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -33.48 109.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.58 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 7.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.545 -0.741 . . . . 1.0 110.418 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.2 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.29 -179.69 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 1.0 110.4 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.642 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.1 OUTLIER -104.75 -178.94 3.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.058 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 24.4 mtmm -71.5 143.1 50.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.371 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.519 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 80.45 -4.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.736 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -94.83 123.05 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.57 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 8.9 m0 -40.03 157.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.21 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' GLY . 3.7 t -67.27 78.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 1.0 110.269 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . -42.69 169.48 0.01 OUTLIER Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.81 -62.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 1.0 110.255 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 11' ' ' THR . 50.7 m -69.11 81.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.3 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' CYS . 7.7 mt-10 -34.63 -53.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.7 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -37.7 94.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' GLU . 68.8 m -71.93 178.41 3.74 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 63.8 m -94.1 95.69 9.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.025 0.441 . . . . 1.0 110.122 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 9.8 p -34.8 147.05 0.14 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.971 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 42' ' ' CYS . 45.9 Cg_endo -75.35 3.16 15.56 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.45 -1.896 . . . . 1.0 111.872 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.642 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 5.8 mtp -58.74 135.53 57.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.623 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.9 tttp -133.53 146.07 50.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.037 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -59.1 105.23 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 22' ' ' TYR . 97.5 t -104.54 166.17 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.153 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 17.6 t80 -105.81 157.55 17.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.282 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.593 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -112.62 -101.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.176 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.7 -76.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.843 -0.429 . . . . 1.0 109.843 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 1.3 p90 -88.53 17.76 5.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.136 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 9.5 m-20 -145.18 89.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.069 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 36.0 tt0 -58.65 -24.86 62.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.518 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 28.4 pt20 -57.93 -16.72 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 43.03 -164.25 0.03 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.442 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -156.38 165.25 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 1.0 110.355 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 88.9 m -77.74 119.8 21.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.983 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' HB ' ' A' ' 21' ' ' VAL . 4.4 mt-30 -139.68 136.98 34.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0 110.565 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -64.65 110.04 2.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.273 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.7 p -95.38 151.9 18.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.61 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.73 -33.27 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.012 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.551 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 96.9 p -63.52 -28.73 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.12 -15.74 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.078 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 29.9 mt -61.94 -35.66 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.138 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.2 -21.03 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.686 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -130.37 40.94 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.806 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.2 tptm -33.59 101.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.775 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 9.4 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.512 -0.756 . . . . 1.0 110.344 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.534 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.5 t . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.705 -0.48 . . . . 1.0 109.705 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . . . -140.63 172.77 12.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.048 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.698 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.62 -177.49 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.977 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 12.7 mttm -69.61 142.06 53.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.468 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 76.71 15.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -101.57 117.69 35.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 1.0 110.491 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.613 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.5 m0 -40.99 137.13 1.31 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 1.0 110.515 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' GLN . 5.3 t -101.61 151.93 21.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.156 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.0 -76.59 0.72 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.771 -0.931 . . . . 1.0 110.771 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -177.07 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 1.0 110.175 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 15.3 t -112.0 179.29 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.139 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 85.69 -44.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.233 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' OD2' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER 75.09 161.98 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 18' ' ' MET . 77.0 m -98.11 175.55 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.986 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 55.5 m -95.25 98.73 10.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.993 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.506 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 6.9 p -36.11 148.8 0.15 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.638 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.654 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 48.5 Cg_endo -77.96 7.32 21.88 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.584 -1.84 . . . . 1.0 112.042 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.698 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 3.6 mtp -62.14 127.06 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.606 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -131.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.023 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 m -49.27 109.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.907 -0.405 . . . . 1.0 109.907 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 19' ' ' LYS . 53.5 t -104.32 162.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.255 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' HG12 ' A' ' 21' ' ' VAL . 2.5 t80 -108.97 138.63 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.297 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.48 -106.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -157.02 -70.79 0.1 Allowed 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.465 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 1.9 p90 -85.92 13.21 7.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.168 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 6.5 m-20 -144.04 87.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.019 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 34.3 tt0 -59.82 -20.66 58.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.384 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.613 ' NE2' ' CD2' ' A' ' 7' ' ' TRP . 7.9 pt20 -62.65 -12.76 25.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.472 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 45.05 -159.66 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -170.51 156.33 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.452 . . . . 1.0 110.728 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 80.8 m -64.56 113.69 3.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.266 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.625 ' HB2' HG21 ' A' ' 21' ' ' VAL . 40.3 mt-30 -145.46 130.74 18.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.228 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -56.45 169.33 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.066 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 61.7 p -150.31 156.8 42.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.76 -38.37 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.856 0.36 . . . . 1.0 110.094 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.59 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 17' ' ' PRO . . . -63.17 -17.74 62.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.982 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 87.8 mt -61.99 -37.9 86.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.043 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.622 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.27 -21.97 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 179.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 39.37 3.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.652 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HE3' HD23 ' A' ' 38' ' ' LEU . 3.9 tttt -42.27 110.51 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.679 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.506 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.466 -0.778 . . . . 1.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 4.4 t . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' O ' ' CE ' ' A' ' 18' ' ' MET . . . -165.15 -168.18 1.35 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.885 0.374 . . . . 1.0 110.674 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 3.0 mmmm -107.55 -170.64 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.96 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 10.0 mttt -73.81 155.42 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 1.0 110.28 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 75.84 3.61 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.684 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.8 119.04 29.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 1.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.509 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 9.3 m0 -45.86 144.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.626 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 11.7 t -93.72 -60.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.433 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.96 61.14 7.68 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.91 158.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.763 0.316 . . . . 1.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 40.8 p 45.17 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.217 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 11' ' ' THR . 46.4 mm-40 66.49 100.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.168 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 12.9 t70 -80.55 -15.95 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' ASP . 16.7 m 76.74 -179.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 95.8 m -92.68 100.11 12.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.252 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.9 p -36.57 148.49 0.18 Allowed Pre-proline 0 CA--C 1.52 -0.202 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.031 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 45.7 Cg_endo -78.23 8.55 21.42 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.667 -1.806 . . . . 1.0 112.325 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.523 ' CE ' ' O ' ' A' ' 2' ' ' ALA . 41.7 mtm -55.4 119.06 5.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 144.32 44.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.62 105.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.998 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 23.4 t -104.63 157.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.489 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 14.5 t80 -107.61 155.7 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.134 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.635 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -120.74 -104.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.109 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -162.75 -81.56 0.03 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 1.0 110.214 179.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 1.4 p90 -58.68 -16.87 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.087 0.47 . . . . 1.0 110.124 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.3 p30 -129.41 84.41 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.72 -0.673 . . . . 1.0 109.551 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -55.98 -21.23 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.493 -179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.509 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 5.1 pt20 -59.28 -13.02 6.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.645 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 50.44 -172.69 0.11 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -151.49 161.96 41.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.91 0.386 . . . . 1.0 110.162 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -77.45 120.75 22.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.203 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -147.67 127.28 13.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 1.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 33.6 p -62.22 116.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.181 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 5.0 p -100.01 159.58 14.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.539 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.02 -33.4 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.918 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.521 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.1 p -63.84 -29.3 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.91 -16.05 60.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.698 . . . . 1.0 109.983 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 85.3 mt -62.28 -36.72 82.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.984 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.606 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -61.61 -21.12 64.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 1.0 109.618 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.5 ptmm? -124.51 39.46 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.95 113.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.904 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 20.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.397 -0.811 . . . . 1.0 110.378 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.9 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.988 -0.375 . . . . 1.0 109.988 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.47 158.51 39.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.874 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.798 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.52 173.43 6.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 5.0 mtmp? -64.08 145.15 56.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.16 8.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.767 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 3' ' ' LYS . 3.0 m-80 -95.18 118.33 31.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 1.0 110.45 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.434 ' HA ' ' O ' ' A' ' 29' ' ' GLY . 8.9 m0 -50.77 142.94 10.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.53 -82.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.441 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 80.95 80.35 0.87 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.509 -1.036 . . . . 1.0 110.509 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.5 OUTLIER 64.61 -171.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' LYS . 77.3 p 43.03 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.169 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.71 144.91 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.293 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 170.55 90.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 1.0 111.25 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -143.48 177.87 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' H ' ' HE2' ' A' ' 18' ' ' MET . 22.4 m -97.0 101.8 13.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.403 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.461 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.1 p -38.05 149.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.528 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -77.52 5.93 21.29 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 -1.805 . . . . 1.0 112.004 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.798 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mtp -58.35 125.52 23.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.352 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.9 ttmt -133.12 146.43 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.208 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.81 101.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 1.0 109.964 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 19' ' ' LYS . 93.7 t -104.51 166.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.435 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 18.6 t80 -103.34 159.24 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.055 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -115.37 -100.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -155.55 -79.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.601 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -86.0 13.68 7.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.294 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.601 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 15.4 m-20 -139.89 86.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.987 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 31.9 tt0 -58.52 -20.9 50.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' GLY . 2.5 pt20 -59.22 -18.87 40.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.8 -166.58 0.08 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 3.1 p -164.65 162.66 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 1.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 64.6 m -68.78 116.27 9.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.051 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' OE1' ' O ' ' A' ' 30' ' ' SER . 2.6 mt-30 -144.69 135.7 24.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 p -54.62 157.24 3.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 38.2 p -148.59 150.51 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.509 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.75 -34.04 60.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.102 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 21.4 p -63.88 -28.67 70.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 17' ' ' PRO . . . -65.14 -14.75 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.121 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 50.6 mt -62.39 -34.09 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 1.0 109.969 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -62.73 -22.44 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 37' ' ' ALA . 11.0 pttp -126.05 39.08 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.674 179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -33.89 104.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.733 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.1 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.59 168.85 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.872 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.718 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 13.8 mmtt -104.49 179.2 4.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.0 109.999 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -70.8 147.89 48.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 81.26 -7.54 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.686 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.441 ' ND2' ' HB2' ' A' ' 3' ' ' LYS . 50.0 m-80 -89.89 122.75 33.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.221 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CG ' ' NE2' ' A' ' 28' ' ' GLN . 8.0 m0 -44.08 165.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 1.0 110.773 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.49 146.76 24.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.52 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.69 -103.64 0.57 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 11' ' ' THR . 4.4 ptpt -151.34 -140.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 1.0 110.133 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 10' ' ' LYS . 9.3 t 44.85 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.807 0.337 . . . . 1.0 110.569 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -35.41 118.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.47 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -47.24 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.17 179.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 18' ' ' MET . 29.4 m -50.44 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 1.0 110.031 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 51.4 m -95.0 99.41 11.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.302 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.0 p -37.14 148.72 0.19 Allowed Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.709 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 47.0 Cg_endo -76.42 4.31 18.36 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.627 -1.822 . . . . 1.0 111.962 -0.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.718 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.5 mtp -56.33 122.08 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.0 tttp -125.79 153.66 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.16 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.46 111.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.134 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 32' ' ' GLN . 15.6 t -105.56 150.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.446 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 2.1 t80 -107.81 137.1 46.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.27 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.76 -105.04 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.094 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -155.89 -72.71 0.11 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 26' ' ' ASN . 3.8 p90 -81.98 5.95 17.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.576 . . . . 1.0 109.953 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 1.6 m-80 -133.86 82.93 2.01 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.057 -0.519 . . . . 1.0 109.931 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 28.7 tt0 -60.59 -25.38 66.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.153 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.622 ' NE2' ' CG ' ' A' ' 7' ' ' TRP . 8.8 pt20 -58.87 -16.54 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.224 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 46.96 -170.53 0.04 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.029 -0.829 . . . . 1.0 111.029 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -156.31 159.96 39.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 1.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.8 m -74.56 126.13 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.898 ' HB2' HG21 ' A' ' 21' ' ' VAL . 96.0 mt-30 -149.72 143.24 25.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.914 0.388 . . . . 1.0 110.682 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 28.3 p -91.53 150.78 21.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.773 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.58 -34.5 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.376 . . . . 1.0 109.996 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.3 p -63.7 -29.28 70.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.06 -16.2 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.99 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 86.3 mt -62.18 -36.79 82.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 1.0 109.931 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.02 -22.3 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.544 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.1 ptmm? -121.45 38.65 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.576 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -33.66 115.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.89 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.8 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.464 -0.779 . . . . 1.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.3 t . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' O ' ' HE1' ' A' ' 18' ' ' MET . . . -137.85 -162.14 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.822 0.344 . . . . 1.0 110.381 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -121.93 177.17 5.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.179 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' CB ' ' HD2' ' A' ' 5' ' ' ARG . 13.7 mtpp -67.82 149.91 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HD2' ' CB ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 71.89 17.46 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.216 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' SER . 2.5 m-80 -95.66 125.25 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.467 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.08 122.47 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.421 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.13 154.52 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.8 35.49 0.62 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLU . 11.6 mtmt 41.19 -153.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.325 . . . . 1.0 110.24 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m 65.08 -64.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' LYS . 1.8 mt-10 -114.65 133.72 55.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.297 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 10.3 t0 -59.12 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.202 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 13' ' ' ASP . 0.1 OUTLIER 168.27 -170.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.296 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.679 ' H ' ' HE2' ' A' ' 18' ' ' MET . 62.3 m -93.5 92.45 7.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.49 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.4 p -35.15 146.72 0.17 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.544 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 46.8 Cg_endo -81.11 12.12 28.2 Favored 'Cis proline' 0 C--O 1.23 0.117 0 C-N-CA 122.74 -1.775 . . . . 1.0 112.146 0.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.679 ' HE2' ' H ' ' A' ' 15' ' ' CYS . 19.9 mtp -52.04 120.54 5.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.444 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.746 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -124.51 135.88 53.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.953 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 11.4 t -48.41 110.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.16 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 19' ' ' LYS . 70.5 t -110.39 160.66 9.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.546 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 27' ' ' GLU . 9.7 t80 -107.15 154.21 21.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.095 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -110.11 -103.45 0.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.195 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -158.39 -71.61 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.906 -0.405 . . . . 1.0 109.906 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE1' ' ND2' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -87.47 16.52 5.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.229 179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.562 ' ND2' ' CE1' ' A' ' 25' ' ' TYR . 36.7 m-20 -150.29 93.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.891 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 19.1 tt0 -58.49 -30.16 66.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 25.5 pt20 -55.52 -19.52 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' TRP . . . 40.92 -160.12 0.02 OUTLIER Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.1 p -156.26 163.37 39.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 1.0 110.316 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 18' ' ' MET . 32.6 m -75.63 127.63 33.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 21' ' ' VAL . 65.1 mt-30 -146.48 128.54 15.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.959 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.497 ' HB2' ' HG2' ' A' ' 17' ' ' PRO . 52.2 p -51.26 105.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 19' ' ' LYS . 37.1 p -89.45 151.78 21.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.667 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.25 -34.17 59.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.086 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.495 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.2 p -63.44 -29.94 71.15 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -63.46 -16.39 60.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.077 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 92.4 mt -61.95 -36.99 83.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.599 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -59.68 -20.47 56.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.619 -0.511 . . . . 1.0 109.619 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' LYS . 5.9 ptmt -127.46 39.97 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -31.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.889 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 12.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.443 -0.789 . . . . 1.0 110.484 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 6.7 t . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.962 0.41 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.1 160.21 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.796 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 6' ' ' ASN . 8.8 mptt -104.56 -178.0 3.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.514 ' O ' ' CD ' ' A' ' 5' ' ' ARG . 4.3 mtpt -69.1 142.71 54.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.514 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.14 12.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.53 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 5.4 m-80 -103.93 117.96 35.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.601 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.541 ' CD2' ' OE1' ' A' ' 28' ' ' GLN . 6.9 m0 -49.52 136.64 16.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.082 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -106.91 84.68 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.313 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.47 62.82 0.5 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -165.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 1.0 110.455 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -74.26 168.98 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.481 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 64.83 141.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.06 172.14 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.064 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' MET . 7.6 m -73.23 176.83 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.391 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 22.2 m -94.86 105.36 17.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.315 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.465 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 3.0 p -38.29 149.69 0.21 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.53 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 46.4 Cg_endo -76.96 5.04 19.51 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.595 -1.836 . . . . 1.0 111.716 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.468 ' SD ' ' HG3' ' A' ' 4' ' ' LYS . 1.5 mtp -62.76 130.45 44.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.576 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.31 154.16 50.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.933 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.3 t -63.35 121.43 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 91.2 t -115.49 157.72 16.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.063 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 27' ' ' GLU . 2.1 t80 -108.48 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.489 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.97 -102.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.932 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -154.68 -76.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.462 -0.569 . . . . 1.0 109.462 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 26' ' ' ASN . 3.6 p90 -81.27 4.94 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.172 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 25' ' ' TYR . 1.5 m-80 -128.94 78.02 1.83 Allowed 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.203 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 44.4 tt0 -60.47 -15.17 24.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 1.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.541 ' OE1' ' CD2' ' A' ' 7' ' ' TRP . 13.6 pt20 -66.6 -9.26 33.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.535 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 21' ' ' VAL . . . 48.24 -177.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.111 -0.795 . . . . 1.0 111.111 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -153.39 154.71 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.21 0.529 . . . . 1.0 110.535 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 82.5 m -79.45 121.3 25.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.408 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -149.77 142.67 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.6 p -62.59 104.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.464 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 40.2 p -90.25 152.21 21.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.637 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.07 -34.31 62.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 1.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.497 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -63.74 -29.09 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -62.91 -16.77 60.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.0 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 53.2 mt -61.93 -38.76 89.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.052 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.609 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -60.47 -22.79 63.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 1.0 109.51 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -123.85 39.57 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.702 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LYS . 2.3 mmtt -33.84 112.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.57 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 5.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.475 -0.774 . . . . 1.0 110.314 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 5.8 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.24 165.79 24.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.742 ' HA ' ' HE1' ' A' ' 18' ' ' MET . 0.0 OUTLIER -104.56 174.64 5.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.102 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 5.6 mtpp -66.68 144.66 56.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 78.13 11.12 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.465 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 3.1 m-80 -91.2 121.02 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.564 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 5.3 m0 -59.98 132.8 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.406 . . . . 1.0 110.437 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -81.06 48.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.602 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . -38.04 -94.79 0.01 OUTLIER Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.91 59.3 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.936 0.398 . . . . 1.0 110.028 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -142.97 147.18 34.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.131 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -127.07 66.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.511 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 14.8 t70 178.4 127.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 1.0 111.404 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' C ' ' SG ' ' A' ' 1' ' ' CYS . 61.0 m -126.5 178.62 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' H ' ' HE2' ' A' ' 18' ' ' MET . 54.1 m -94.9 98.63 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.908 0.385 . . . . 1.0 110.41 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.485 ' C ' ' HB2' ' A' ' 42' ' ' CYS . 2.3 p -37.39 148.7 0.2 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.719 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' CB ' ' HB1' ' A' ' 37' ' ' ALA . 45.4 Cg_endo -75.88 4.31 16.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.555 -1.852 . . . . 1.0 112.042 -0.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.742 ' HE1' ' HA ' ' A' ' 3' ' ' LYS . 9.3 mtp -56.7 128.83 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.345 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -133.47 136.81 45.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.41 103.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.91 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 19' ' ' LYS . 62.7 t -104.39 166.03 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -108.49 160.4 15.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.299 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.643 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -122.5 -105.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.038 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -165.78 -71.11 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.917 -0.401 . . . . 1.0 109.917 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.586 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 10.9 p90 -69.78 -6.68 33.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.311 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 4.7 p30 -141.62 87.27 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.794 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 22' ' ' TYR . 6.8 tt0 -57.13 -18.48 15.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.564 ' OE1' ' CG ' ' A' ' 7' ' ' TRP . 21.1 pt20 -62.3 -11.75 16.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.623 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 41.99 -167.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' ASN . 3.0 p -164.47 161.03 21.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.361 . . . . 1.0 110.631 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 77.8 m -68.4 118.76 11.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.219 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -146.54 133.15 19.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -53.87 165.05 0.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.308 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.567 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 19.8 p -150.37 151.89 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.497 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.2 mm -61.56 -38.09 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.405 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' NE1' ' A' ' 39' ' ' TRP . 21.4 p -64.21 -24.46 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 34' ' ' THR . . . -64.75 -16.17 62.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 1.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 36.0 mt -62.42 -37.04 84.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.972 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.628 ' CE3' ' N ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -62.6 -22.07 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.589 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.35 37.74 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.688 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' LYS . 1.2 mmtt -36.41 116.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.759 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB2' ' C ' ' A' ' 16' ' ' CYS . 8.4 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.468 -0.777 . . . . 1.0 110.505 179.87 . . . . . . . . 1 1 . 1 stop_ save_