data_1wfk_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 1wfk _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 ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' CB ' HG13 ' A' ' 17' ' ' VAL . 42.8 t -90.7 143.0 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -90.25 26.09 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 -40.29 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -122.88 -10.61 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.45 26.92 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' CB ' ' A' ' 12' ' ' CYS . 9.9 p -83.38 140.0 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 8.0 ttpp -78.82 132.64 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.7 m-85 -76.81 121.55 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 18' ' ' LYS . 39.6 p -140.96 175.48 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.05 -42.83 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.81 -42.35 34.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -104.58 95.69 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.39 162.45 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 19.9 tt0 -102.71 133.15 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 5.5 m-85 -120.62 161.55 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.54 145.24 15.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.88 167.16 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -109.31 -42.4 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.1 t30 -67.21 -74.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -70.24 -33.03 71.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.41 23.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 84.9 mtt180 -116.17 170.12 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.76 129.01 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.67 163.58 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.9 p -98.65 141.26 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -31.58 -36.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.57 -48.89 68.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' CYS . 86.0 m -79.31 -40.78 29.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -85.46 58.76 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -120.11 32.55 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.2 m-85 -131.45 157.25 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -133.46 137.1 45.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.52 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD21 ' CA ' ' A' ' 53' ' ' GLN . 6.7 mt -56.16 120.18 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.9 t -104.38 123.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.12 4.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -99.78 -33.77 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.18 26.27 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.89 23.86 54.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.25 50.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -115.02 141.52 47.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CA ' HD21 ' A' ' 45' ' ' LEU . 10.1 tt0 -65.09 85.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -101.26 157.98 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -65.35 109.73 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.509 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 34.4 m -117.07 164.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -76.35 153.57 35.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' CYS . 15.5 tptm -34.78 -65.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -39.54 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.4 m -41.76 -55.0 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -45.65 -33.72 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.4 m -87.98 -40.56 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -38.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.62 -19.68 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.8 p -101.01 -18.59 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' THR . 20.2 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.1 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.834 0.35 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -92.16 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -90.35 27.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.43 -43.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 24.0 p -121.41 -9.92 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.4 27.71 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' SG ' ' A' ' 15' ' ' CYS . 9.9 p -84.59 136.92 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -71.69 124.63 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.2 m-85 -66.72 107.07 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -126.44 171.82 10.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mp -34.61 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -65.82 -42.96 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.19 81.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -58.05 173.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -108.59 130.97 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 9.9 m-85 -120.08 162.57 19.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.07 143.54 14.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -91.15 165.56 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.33 -42.5 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.0 t30 -67.23 -74.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -69.91 -34.68 73.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.93 16.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -116.76 168.98 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.0 m-85 -137.47 160.53 38.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.53 141.52 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.2 t-20 -31.84 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.18 -48.45 69.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 84.2 m -79.11 -39.91 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -87.07 53.58 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.0 p -114.22 30.19 7.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.3 m-85 -128.86 162.89 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.55 147.5 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -169.27 153.13 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.97 120.76 10.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.14 124.84 38.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.49 2.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -103.69 -33.53 8.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.97 33.55 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.84 37.91 65.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 55.21 54.44 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -112.35 134.73 53.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -63.35 79.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -98.36 162.08 13.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -66.54 114.33 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.519 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.4 m -121.9 162.09 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -75.82 153.99 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 19.8 tptp -34.56 -65.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.62 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.9 m -42.35 -53.51 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -48.03 -33.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -88.75 -35.64 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.86 -37.28 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.8 mt -77.54 -15.44 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 p -103.32 -21.95 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 24.9 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.3 t -91.81 142.52 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -89.04 26.03 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.84 -39.82 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 22.7 p -126.24 -9.79 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 70.46 27.82 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG1' ' SG ' ' A' ' 15' ' ' CYS . 12.3 p -84.34 127.31 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -63.53 134.6 55.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 38.7 m-85 -77.98 126.68 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 70.5 p -143.81 174.77 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.6 mp -38.01 -54.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.82 -46.86 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -97.79 81.23 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.66 172.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -110.8 129.64 55.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.3 m-85 -116.2 162.15 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.08 144.86 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.97 166.24 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -108.83 -41.91 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.4 t30 -67.13 -74.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.7 p -70.35 -33.84 71.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.84 44.64 19.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.9 mtt180 -116.1 171.58 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.97 128.33 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.6 m-85 -137.05 160.22 39.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.2 p -95.71 141.45 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -31.15 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.49 -50.59 58.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.8 m -77.58 -38.3 48.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.3 54.0 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 p -113.97 31.88 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.8 m-85 -132.02 158.51 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.61 137.1 39.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.24 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.81 119.83 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.68 123.75 41.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.171 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.88 4.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -101.36 -30.95 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.48 27.9 4.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.65 40.84 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.36 52.15 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -114.37 137.56 51.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.3 92.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -108.95 161.77 14.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -67.72 106.8 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.533 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -114.52 163.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -76.82 153.55 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' CYS . 4.2 tppp? -34.67 -65.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -39.53 -73.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.0 m -42.77 -52.56 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 1.8 t-80 -47.74 -33.01 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -89.75 -36.27 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -34.79 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.33 -16.79 53.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -102.69 -17.94 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 23.3 mtm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' CB ' HG11 ' A' ' 17' ' ' VAL . 38.3 t -92.05 142.92 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -89.36 25.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.71 -39.87 0.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.89 -11.02 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.98 27.09 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG11 ' CB ' ' A' ' 12' ' ' CYS . 7.9 p -82.56 137.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -74.76 122.19 22.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.0 m-85 -64.94 102.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.2 p -123.02 173.62 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.3 mp -35.53 -51.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -68.02 -46.81 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.27 105.88 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -75.22 166.87 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.483 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.9 tt0 -104.93 129.24 53.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.494 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 11.3 m-85 -121.43 163.09 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.8 146.73 17.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.14 158.81 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -100.25 -43.35 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.425 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 7.6 t30 -64.59 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.42 -36.01 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.89 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 86.5 mtt-85 -117.34 165.67 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.05 125.59 34.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.48 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.3 m-85 -132.69 162.29 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.7 p -96.5 141.23 30.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.1 t30 -32.06 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.69 -48.44 67.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 89.7 m -79.75 -39.07 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.04 58.89 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 30.13 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.541 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 7.6 m-85 -129.22 160.61 32.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -138.55 138.83 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.74 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 53' ' ' GLN . 8.9 mt -57.17 117.69 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 122.35 45.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.643 0.735 . . . . 0.0 111.149 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.13 37.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -75.72 -41.62 52.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -28.84 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.83 46.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 53.84 49.47 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLN . 16.5 p -119.17 132.29 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' N ' HD21 ' A' ' 45' ' ' LEU . 8.1 tt0 -61.89 77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 20.3 mm-40 -92.14 160.29 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -68.85 112.9 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.534 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -119.88 165.62 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -79.07 156.54 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.4 tptp -36.32 -66.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -40.02 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 55.6 m -41.87 -54.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -46.01 -34.41 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ARG . 17.7 m -87.1 -43.49 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -41.55 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.32 -20.63 61.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -101.61 -13.74 17.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' THR . 4.8 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 58.4 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -89.93 144.19 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.76 25.35 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.97 -41.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.46 -10.07 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.39 26.75 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -80.43 146.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -83.15 130.57 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.7 m-85 -75.12 126.12 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LEU . 48.5 p -146.6 171.85 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.4 mp -35.22 -51.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.35 -50.06 36.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -95.67 81.86 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -56.88 172.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.7 tt0 -110.85 130.59 55.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 5.7 m-85 -116.18 161.7 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.92 145.63 16.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.51 166.26 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -109.02 -41.37 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.1 t30 -67.51 -74.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.0 p -70.27 -35.56 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.05 44.21 12.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.5 mtt-85 -117.41 166.89 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.87 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.2 m-85 -137.15 161.84 35.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.0 p -96.81 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -30.42 -37.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.91 -49.35 68.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 91.5 m -78.83 -37.7 39.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -89.78 57.77 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -118.14 33.63 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.1 m-85 -133.5 161.56 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -138.97 138.52 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.28 149.13 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.25 121.1 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.31 124.51 35.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.43 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.4 mtp-105 -108.96 -28.88 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 25.09 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASN . . . 75.95 50.33 7.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 6.0 p-10 43.1 54.96 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.5 p -127.07 145.04 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.82 102.89 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -116.24 160.8 19.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -65.82 106.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -115.01 161.91 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.0 p -73.69 154.51 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' CYS . 3.9 tppp? -35.8 -65.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.3 -74.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.3 m -41.1 -55.85 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -44.97 -34.04 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 66' ' ' ARG . 19.9 m -88.18 -37.6 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.84 -39.36 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.03 -19.57 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.6 p -99.35 -21.16 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.8 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -89.83 147.77 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -93.53 27.68 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.05 -42.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -120.01 -10.99 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.47 26.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.4 141.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 139.78 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 35.7 m-85 -85.3 128.68 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -142.27 173.73 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mp -41.67 -42.11 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.24 -41.77 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 99.49 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -68.67 160.24 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 8.8 tm-20 -104.87 133.3 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 3.5 m-85 -115.2 161.03 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.73 146.0 16.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -93.82 165.97 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -108.98 -41.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.0 t30 -67.03 -74.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.97 -35.1 74.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.4 45.09 11.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 82.7 mtt180 -117.75 170.41 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 128.54 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.64 158.6 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLY . 21.3 p -93.83 141.47 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -31.38 -37.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.84 -49.93 64.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.0 m -78.23 -39.14 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -87.66 59.46 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 p -119.79 33.85 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.6 m-85 -133.77 159.56 40.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 137.99 40.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.32 148.03 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -54.57 121.32 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -106.76 121.9 43.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.63 37.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -75.78 -38.52 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.28 -30.4 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.42 41.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.49 50.65 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -120.31 133.54 55.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.48 81.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -98.16 158.16 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -65.34 110.57 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.51 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.46 162.52 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.89 154.62 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 21.0 tptp -35.73 -65.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.441 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.6 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.9 m -41.56 -55.59 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -46.29 -32.92 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' ARG . 39.9 m -87.05 -42.35 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.441 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -59.99 -40.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 mt -72.07 -20.34 61.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 p -102.02 -16.54 16.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' THR . 6.9 ptp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 13.2 mtp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.61 141.97 28.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.4 t80 -86.34 25.34 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.56 -41.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -123.9 -12.11 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' NE ' ' A' ' 11' ' ' ARG . . . 74.63 25.14 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.59 127.42 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -76.23 117.39 17.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -134.05 175.28 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -40.49 -46.99 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.98 -41.41 64.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -104.31 98.71 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -68.21 168.86 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 17.3 tt0 -109.9 132.09 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.5 m-85 -118.42 161.94 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.72 146.36 16.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -94.3 167.04 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -109.54 -42.17 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.411 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.9 t30 -66.87 -74.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.21 -35.65 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.01 44.14 12.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 82.6 mtt-85 -117.36 168.16 10.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.15 128.99 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.6 m-85 -136.42 161.19 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.2 p -96.25 139.86 31.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -30.01 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -62.75 -49.48 72.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.1 m -79.16 -38.14 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.84 58.39 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -119.08 34.07 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 19.1 m-85 -133.66 158.18 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -135.77 138.17 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.33 149.57 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -53.61 122.1 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.33 122.85 39.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.25 35.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -73.72 -38.46 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.56 -26.52 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 51' ' ' ASN . . . 124.94 53.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.51 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 4.0 p-10 48.08 53.69 11.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.7 p -122.14 135.03 54.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.98 84.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -102.8 156.78 17.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -63.24 108.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.8 m -117.12 160.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -72.53 153.74 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 36.1 tptt -35.24 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.5 tt0 -39.37 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -41.01 -56.84 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.9 t-80 -44.35 -33.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' ARG . 20.9 m -87.87 -39.07 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.1 mt -62.45 -37.42 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -77.23 -15.92 59.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.967 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.9 p -104.9 -19.26 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' THR . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 18.6 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -89.74 143.65 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.59 25.91 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.54 -39.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.23 -13.39 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.42 25.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -81.43 122.89 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -62.03 128.4 35.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -71.88 122.76 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 p -139.53 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.187 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.65 -43.73 2.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.53 -35.16 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -108.26 94.25 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 165.77 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 42.3 tt0 -107.02 129.88 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.2 m-85 -117.97 161.74 19.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.09 146.4 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.38 165.65 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -108.77 -40.74 4.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.9 t30 -67.51 -72.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.3 -36.44 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.32 44.72 9.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.6 mtt-85 -117.77 166.63 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.8 126.85 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.4 m-85 -134.43 160.1 39.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -94.53 140.53 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.4 t30 -31.13 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.06 -49.14 69.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.1 m -78.99 -38.89 35.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -87.98 59.93 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -120.8 33.02 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.1 m-85 -132.35 161.0 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.93 141.36 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.69 145.48 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.08 121.37 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.64 123.28 41.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.576 0.703 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -102.6 -30.46 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.85 28.28 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 47.63 8.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 43.93 51.12 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -109.96 139.54 44.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -66.62 89.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -106.92 158.12 17.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -65.65 108.79 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.495 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.9 m -116.14 161.39 14.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.5 p -72.62 154.75 40.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 34.6 tptt -36.01 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.6 tt0 -39.51 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.7 m -39.03 -56.16 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 6.3 t-80 -44.93 -35.64 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' GLN . 21.2 m -85.74 -36.98 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.0 mt -61.53 -51.36 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.78 -49.39 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -65.64 -36.27 83.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 42.9 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 t -92.59 141.44 28.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -88.21 27.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.57 -41.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.8 -11.97 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.97 25.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.96 125.58 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.44 132.55 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -76.21 127.46 32.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 21' ' ' LEU . 62.4 p -147.08 170.65 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.5 mp -33.94 -53.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.52 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -97.33 81.84 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -57.6 171.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 56.3 tt0 -110.77 131.67 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.486 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.5 m-85 -117.58 162.13 18.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.06 145.84 16.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.29 164.36 13.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -107.35 -40.12 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.3 t30 -68.13 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.1 p -70.49 -35.11 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.99 44.28 12.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.8 mtt180 -117.25 168.48 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.88 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.18 161.5 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -96.07 140.73 30.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.1 t30 -31.22 -37.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.33 -48.83 70.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.9 m -79.26 -38.94 34.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -88.4 60.78 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -120.22 34.01 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.809 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.577 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -134.01 163.27 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.38 140.88 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.1 153.19 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.4 mt -57.44 122.38 12.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.74 121.51 42.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -17.97 37.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.28 . . . . 0.0 112.379 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -75.87 -37.33 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.94 -30.26 21.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.76 49.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 50.61 48.22 22.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 p -118.46 131.81 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.8 tt0 -63.84 89.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -106.09 160.89 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.03 109.24 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.2 m -116.95 162.01 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.08 154.01 39.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 40.8 tptt -35.0 -65.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.442 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.6 m -40.07 -54.54 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.2 t-80 -47.08 -35.07 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 38.7 m -85.76 -38.04 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.24 -50.59 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.21 -41.75 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 p -74.18 -31.4 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.64 145.83 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.21 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.28 -42.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.48 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 27.0 p -123.06 -10.65 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.65 26.09 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG1' ' SG ' ' A' ' 15' ' ' CYS . 11.7 p -81.82 125.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -60.96 132.08 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 41.5 m-85 -77.11 123.15 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -142.59 169.51 17.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.0 mp -32.75 -52.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.41 -47.86 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 82.26 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -56.81 176.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 33.8 tt0 -113.12 128.14 56.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.5 m-85 -115.17 161.64 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.43 147.06 17.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -93.97 167.95 11.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -108.73 -45.3 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.422 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 13.9 t30 -64.79 -73.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -71.4 -35.98 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.96 13.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 84.7 mtt-85 -115.38 164.2 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.18 124.86 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.0 m-85 -133.91 158.96 42.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.7 p -94.81 140.43 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -29.58 -39.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.19 -50.18 65.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 98.2 m -77.93 -36.5 49.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -90.88 55.79 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -116.16 31.63 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -130.72 161.81 30.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.48 146.59 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -166.68 146.15 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 53' ' ' GLN . 17.1 mt -54.25 118.6 4.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.24 121.37 50.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -12.94 33.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' NE ' ' O ' ' A' ' 30' ' ' ASN . 9.9 mtm180 -81.8 -39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.88 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.76 42.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.26 47.6 16.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 p -116.32 139.93 49.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.467 ' N ' HD22 ' A' ' 45' ' ' LEU . 28.3 tt0 -71.27 79.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -95.43 159.8 14.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -66.4 110.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.5 m -118.81 163.02 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.2 p -74.62 159.0 32.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.28 -66.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.53 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 58.3 m -40.44 -55.12 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.6 t-80 -44.95 -36.44 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -85.37 -40.96 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -58.32 -45.14 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -72.11 -10.24 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -114.68 -2.65 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -89.77 144.2 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -91.38 27.56 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.81 -40.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -123.74 -10.65 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.45 27.68 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.51 129.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -68.55 127.09 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.6 m-85 -69.68 107.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' LEU . 57.5 p -124.5 169.48 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.3 mp -34.97 -53.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -65.72 -42.17 91.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -104.35 102.72 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -72.68 160.5 32.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.9 tt0 -100.13 129.72 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 6.0 m-85 -117.42 162.11 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.86 145.59 16.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -93.6 167.23 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -110.4 -41.37 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.7 t30 -67.47 -74.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.9 -35.97 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.59 11.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 83.9 mtt180 -118.39 169.32 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.82 129.6 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.9 m-85 -137.11 160.58 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.82 140.91 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.6 t30 -30.89 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.08 -49.47 66.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.9 m -79.14 -37.37 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -90.1 56.37 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.7 p -115.21 32.13 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.0 m-85 -131.71 162.18 31.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.6 139.01 36.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.18 149.32 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.13 119.27 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.18 122.44 44.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.15 36.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.92 -42.35 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.31 -31.39 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.46 42.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 58.98 51.32 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLN . 17.9 p -120.87 133.22 55.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -62.51 78.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' THR . 17.6 mm-40 -94.6 158.22 15.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.92 112.43 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.8 m -120.27 160.84 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.24 156.15 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 11.0 tptm -36.36 -66.07 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.73 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.5 m -40.78 -54.64 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.2 t-80 -45.87 -35.73 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 m -85.76 -39.64 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -61.44 -37.33 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -77.23 -14.33 59.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.0 p -108.26 -17.05 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' THR . 8.3 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -92.33 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -90.59 27.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.35 -41.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.14 -12.47 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.35 25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -80.36 121.55 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 4.9 ttpp -60.94 126.48 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.7 m-85 -69.6 132.97 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.53 ' OG1' ' CE2' ' A' ' 22' ' ' PHE . 41.4 p -145.71 176.95 9.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -44.68 -38.32 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE2' ' OG1' ' A' ' 20' ' ' THR . 0.1 OUTLIER -86.91 -38.37 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.6 67.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -46.39 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.1 tt0 -110.08 130.22 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.4 m-85 -114.85 160.94 18.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.33 146.23 16.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -93.67 166.88 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -109.29 -42.36 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.2 t30 -66.41 -72.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -72.84 -36.51 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.61 44.89 10.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 79.3 mtt-85 -117.3 164.98 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.04 127.7 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.3 m-85 -136.21 159.68 41.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.29 140.61 29.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -30.43 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.56 -49.87 66.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.6 m -78.76 -37.25 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -90.15 55.86 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -116.74 32.6 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.7 m-85 -132.06 163.9 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -141.42 140.85 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.99 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.13 120.62 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.9 t -103.64 124.76 36.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 3.66 2.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -104.87 -30.72 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.99 34.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.14 48.56 38.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 43.27 53.03 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -111.64 141.69 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -70.36 84.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -101.46 160.24 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -66.32 110.73 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 25.5 m -118.53 160.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.8 p -72.65 155.83 39.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' CYS . 23.5 tptp -36.94 -66.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.04 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.7 m -40.94 -54.83 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.65 -33.95 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ARG . 40.2 m -86.03 -42.15 14.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -60.36 -42.04 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.74 -19.75 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.0 p -102.03 -19.08 15.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.8 ptp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.99 149.12 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -92.58 25.53 3.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.71 -43.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -120.44 -12.14 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.34 26.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.97 142.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -78.62 130.92 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -78.77 122.18 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 74.7 p -140.82 -177.39 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -38.2 -62.6 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.7 -46.85 80.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -91.84 94.34 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -72.47 167.52 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.0 tt0 -103.52 129.27 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.479 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.9 m-85 -116.01 159.94 20.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.61 146.84 16.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.78 165.82 12.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -107.64 -41.1 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.6 t30 -68.17 -73.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 p -72.28 -34.61 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.11 45.49 15.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 73.1 mtt-85 -117.03 168.6 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.92 127.38 35.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.5 m-85 -135.36 162.04 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.83 140.48 30.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -31.38 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.45 -48.2 71.01 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.7 m -79.28 -37.96 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -89.58 57.24 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.8 p -118.55 33.01 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.585 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.0 m-85 -132.01 160.64 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -136.71 140.76 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.92 152.67 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.3 124.06 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.94 122.09 40.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.45 32.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -80.77 -39.8 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.56 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.46 41.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.27 48.06 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 p -118.09 138.76 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -69.56 85.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -101.78 160.59 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.77 110.3 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.44 162.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -74.85 153.54 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' CYS . 10.5 tppt? -34.98 -65.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -39.34 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.8 m -41.48 -55.54 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.585 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.5 t-80 -46.63 -33.57 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -87.56 -36.78 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.05 -42.05 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.2 mt -72.79 -16.97 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -100.69 -24.42 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 9.3 mtp180 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.2 t -87.18 145.81 26.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -90.86 26.62 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.8 -41.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 p -121.91 -10.21 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' O ' ' NE ' ' A' ' 11' ' ' ARG . . . 74.53 25.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.9 147.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -89.22 127.92 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 36.0 m-85 -72.93 132.52 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -142.15 -175.6 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -52.3 -43.26 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.09 -36.23 41.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -104.47 96.9 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -69.88 162.8 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.442 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 10.0 tm-20 -105.64 132.17 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 2.8 m-85 -113.95 161.47 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 146.88 16.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.82 160.48 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -101.53 -44.24 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.5 t30 -64.06 -74.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -71.84 -34.36 69.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.61 45.51 17.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 88.9 mtt180 -115.9 166.96 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.56 124.98 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.6 m-85 -133.25 158.1 43.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' CYS . 17.5 p -93.75 147.85 22.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.2 -37.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.19 -38.38 95.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.9 m -88.76 -47.51 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -79.3 59.16 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 p -119.58 33.29 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.576 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 16.5 m-85 -133.8 158.64 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.78 137.19 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.94 149.05 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 120.21 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -103.73 122.29 45.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.175 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.4 3.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -101.44 -35.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.8 22.22 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.55 50.24 4.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 41.96 52.93 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -114.62 137.96 51.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.44 89.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -106.75 160.49 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -67.06 105.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.0 m -112.28 167.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.8 p -80.01 154.64 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 13.4 tptm -35.45 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -39.33 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.1 m -42.53 -53.86 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.69 -32.74 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 m -89.47 -38.38 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -37.18 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.93 -20.33 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 p -98.64 -21.78 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 t -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -92.06 27.36 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.61 -39.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.67 -10.31 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.86 27.05 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -80.92 148.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -87.17 120.3 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 31.6 m-85 -64.64 113.46 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LYS . 50.2 p -134.88 172.74 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.17 -44.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.52 -38.69 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' THR . 17.6 tptt -107.29 97.72 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -68.47 164.48 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.74 133.62 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.5 m-85 -123.09 162.24 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.87 146.7 16.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.22 166.55 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -109.14 -41.45 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.5 t30 -67.64 -74.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -69.79 -35.39 74.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.97 44.3 12.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.4 mtt-85 -118.64 165.4 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.51 132.38 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.9 m-85 -139.51 159.45 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -94.37 147.38 23.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -38.51 -36.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.93 94.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.4 m -89.41 -46.74 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -80.15 59.64 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -120.72 35.41 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 19.7 m-85 -135.24 159.17 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.33 138.27 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.44 148.34 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.94 121.12 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.08 121.93 43.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.94 37.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -76.01 -40.95 52.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.97 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.08 41.9 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.68 51.38 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.985 0.421 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 p -121.57 134.11 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -63.37 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -98.16 157.04 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -65.16 108.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -116.15 165.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -77.29 155.32 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 9.0 tptm -36.2 -65.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -39.77 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.0 m -41.62 -53.45 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.8 t-80 -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' ARG . 85.7 m -86.61 -42.69 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.08 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.33 -17.02 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -105.21 -15.78 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.5 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 35.6 mtm-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.5 t -93.45 145.02 24.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -91.54 28.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -125.28 -11.51 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.69 25.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.25 131.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 126.18 28.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.9 m-85 -69.39 115.23 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' LEU . 31.1 p -137.03 172.38 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mp -33.82 -53.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -68.59 -50.64 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.65 84.28 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -58.34 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.553 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 22.1 tt0 -111.79 130.35 55.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.4 m-85 -120.07 162.67 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.02 16.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -93.44 165.69 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -109.21 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 9.3 t30 -68.96 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.2 p -70.13 -35.64 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.13 44.25 9.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 83.6 mtt180 -118.22 167.77 11.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 128.71 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.3 m-85 -135.56 157.92 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.2 p -92.23 147.91 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -39.23 -36.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.42 93.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.3 m -89.34 -47.34 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.543 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -79.56 59.29 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.4 p -119.22 34.65 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.574 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.8 m-85 -134.48 160.59 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 137.21 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.9 149.81 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.74 122.2 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -108.9 122.11 40.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.19 34.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -73.39 -37.35 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.16 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 54.8 47.99 21.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -118.92 134.98 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.87 87.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -104.14 158.36 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.46 107.97 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.8 m -115.79 163.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -75.95 154.18 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' CYS . 5.0 tppp? -35.14 -65.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.3 tt0 -39.6 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.0 m -41.65 -54.96 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.0 t-80 -46.93 -33.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -88.17 -35.0 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -66.53 -39.26 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -76.45 -13.07 60.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -105.45 -22.9 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 38.2 mtt180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 t -92.7 142.21 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 4.1 t80 -87.01 26.22 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.36 -38.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.87 -7.21 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 67.12 27.1 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.74 131.16 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -64.99 134.7 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 m-85 -78.99 121.84 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LEU . 38.5 p -145.99 170.68 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.2 mt -35.2 -45.76 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.48 -50.27 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -101.36 79.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.6 164.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 21.0 tt0 -106.27 125.81 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 3.7 m-85 -116.23 162.14 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.08 146.76 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.87 166.78 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -111.58 -38.43 4.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 8.7 t30 -69.11 -72.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -71.29 -37.32 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.6 43.52 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 80.5 mtt180 -118.08 168.6 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.57 127.89 35.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.2 m-85 -136.37 155.19 50.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' GLY . 23.0 p -88.61 140.37 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -31.26 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.67 -48.95 62.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.1 m -79.12 -32.65 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -94.86 57.85 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -117.06 34.07 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.9 m-85 -132.18 159.71 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -136.62 143.91 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.96 152.67 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.18 124.38 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 122.2 38.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -83.02 -38.71 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.0 -33.53 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.22 40.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.05 48.53 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 p -118.89 135.54 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.53 78.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -92.57 162.02 14.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -67.33 108.94 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -115.0 161.74 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.16 157.07 36.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' CYS . 22.5 tptp -37.58 -65.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -40.08 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -39.36 -55.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.3 t-80 -45.24 -36.18 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' CD ' ' A' ' 66' ' ' ARG . 21.8 m -84.46 -40.01 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.3 mt -60.0 -51.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.4 86.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -68.86 -30.55 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' CD ' HG21 ' A' ' 62' ' ' THR . 14.9 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -92.55 144.5 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.68 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.7 -40.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -125.0 -12.06 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.98 25.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -79.74 121.29 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -63.55 128.81 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 22.8 m-85 -72.22 137.69 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 p -147.41 -176.18 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -42.59 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -84.08 -32.04 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -103.56 87.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -64.51 160.91 18.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 59.4 tt0 -103.23 136.37 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.0 m-85 -120.27 161.36 21.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.83 146.59 16.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -96.78 159.66 14.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -101.05 -42.94 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' HG12 ' A' ' 46' ' ' VAL . 10.6 t30 -64.37 -74.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 p -72.05 -35.65 69.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.09 46.31 10.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.6 mtt180 -117.39 167.56 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.868 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.26 124.19 33.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 76.9 m-85 -132.53 160.7 35.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -95.67 140.53 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -30.81 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.53 -49.11 72.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.9 m -79.34 -38.66 34.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -88.94 58.3 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -119.65 33.47 5.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.6 m-85 -132.26 162.6 30.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 140.3 41.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.1 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -53.45 122.66 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 30' ' ' ASN . 32.8 t -110.82 121.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -16.12 37.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -77.97 -39.96 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.78 -29.1 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.46 44.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.08 49.41 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . 13.6 p -120.23 134.0 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.51 76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' THR . 25.6 mm-40 -93.86 160.62 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.22 113.6 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 m -120.72 164.25 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.4 p -75.91 156.29 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' CYS . 48.2 tptt -35.99 -66.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -39.99 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.2 m -40.42 -55.15 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.1 t-80 -45.16 -36.46 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ARG . 21.2 m -84.33 -43.86 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -57.11 -43.56 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.5 -7.76 53.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.2 p -119.26 -3.12 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 29.5 mtm-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 t -93.47 141.11 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -87.6 28.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.61 -41.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -125.05 -8.35 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.3 28.25 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.08 124.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -61.91 131.02 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.46 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 33.2 m-85 -75.84 111.88 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LEU . 40.3 p -130.89 168.81 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.7 mp -32.55 -51.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -68.18 -45.06 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.3 tppt? -102.2 100.87 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 167.32 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -107.15 128.67 54.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 5.6 m-85 -117.29 161.87 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.24 146.12 16.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.9 164.07 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -107.34 -40.75 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 9.5 t30 -67.35 -74.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -70.56 -35.99 73.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 43.96 10.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.3 mtt180 -117.52 165.17 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.36 128.18 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.8 m-85 -135.48 160.32 38.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 38' ' ' GLY . 16.8 p -94.86 140.56 29.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 2.9 t30 -31.22 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.87 -48.93 71.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.8 m -79.61 -38.59 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.36 55.8 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -115.5 29.54 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 14.4 m-85 -127.64 163.63 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.94 149.27 47.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.04 146.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 53' ' ' GLN . 15.1 mt -57.11 123.73 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.14 124.74 35.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -104.98 -30.06 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.05 31.43 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.16 43.19 33.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 46.54 52.75 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 p -111.99 139.01 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 16.8 tt0 -65.92 81.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -99.11 161.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.44 113.87 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.514 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -120.56 159.77 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -72.66 154.68 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' CYS . 15.4 tptm -36.15 -65.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.469 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.52 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.1 m -40.25 -55.88 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.8 t-80 -44.45 -33.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.8 m -88.21 -38.07 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 mt -60.93 -49.08 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.12 -46.11 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -69.4 -32.04 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t -88.04 144.04 26.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -90.86 28.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.91 -41.87 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -124.08 -10.63 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.07 25.17 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.3 127.69 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.52 135.11 55.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.0 m-85 -80.66 129.43 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 p -150.21 176.29 10.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mt -38.71 -44.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -78.13 -53.23 7.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -92.48 80.36 4.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.27 174.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 32.8 tt0 -115.0 131.08 57.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.8 m-85 -118.16 161.8 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.25 146.45 16.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -94.35 166.59 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -109.94 -41.27 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.5 t30 -66.96 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.57 -37.1 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.81 44.39 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.1 mtt180 -118.12 166.29 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.28 129.79 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.7 m-85 -137.89 156.52 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -92.0 146.26 23.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -37.42 -35.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -39.14 94.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.9 m -88.72 -43.13 11.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -83.74 58.15 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -118.45 34.33 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 9.7 m-85 -133.85 162.02 33.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.11 143.59 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.783 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.19 148.65 8.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD22 ' CA ' ' A' ' 53' ' ' GLN . 17.9 mt -55.17 123.1 12.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 t -107.57 126.62 29.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 5.35 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -110.71 -30.26 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.95 29.75 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 51' ' ' ASN . . . 71.02 50.16 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 5.8 p-10 44.29 54.99 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.9 p -125.06 145.5 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CA ' HD22 ' A' ' 45' ' ' LEU . 34.9 tt0 -72.39 96.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -110.09 162.56 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.96 111.75 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 30.6 m -119.81 159.36 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -71.69 154.1 41.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' CYS . 26.9 tptt -35.51 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.25 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.2 m -41.01 -55.02 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 5.5 t-80 -45.84 -35.12 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -87.35 -36.19 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.71 -47.68 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.24 -46.94 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -68.25 -34.68 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -115.01 42.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.356 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -159.88 151.13 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.13 41.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -132.26 93.24 3.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -91.96 145.39 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.29 76.25 0.38 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.78 104.47 16.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -100.64 -174.02 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 m -58.53 102.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -120.0 -175.92 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' CB ' HG13 ' A' ' 17' ' ' VAL . 42.8 t -90.7 143.0 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -90.25 26.09 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 -40.29 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -122.88 -10.61 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.45 26.92 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' CB ' ' A' ' 12' ' ' CYS . 9.9 p -83.38 140.0 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 8.0 ttpp -78.82 132.64 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.7 m-85 -76.81 121.55 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 18' ' ' LYS . 39.6 p -140.96 175.48 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.05 -42.83 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.81 -42.35 34.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -104.58 95.69 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.39 162.45 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 19.9 tt0 -102.71 133.15 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 5.5 m-85 -120.62 161.55 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.54 145.24 15.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.88 167.16 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -109.31 -42.4 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.1 t30 -67.21 -74.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -70.24 -33.03 71.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.41 23.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 84.9 mtt180 -116.17 170.12 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.76 129.01 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.67 163.58 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.9 p -98.65 141.26 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -31.58 -36.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.57 -48.89 68.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' CYS . 86.0 m -79.31 -40.78 29.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -85.46 58.76 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -120.11 32.55 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.2 m-85 -131.45 157.25 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -133.46 137.1 45.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.52 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD21 ' CA ' ' A' ' 53' ' ' GLN . 6.7 mt -56.16 120.18 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.9 t -104.38 123.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 111.136 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.12 4.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -99.78 -33.77 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.18 26.27 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.89 23.86 54.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.25 50.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -115.02 141.52 47.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CA ' HD21 ' A' ' 45' ' ' LEU . 10.1 tt0 -65.09 85.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -101.26 157.98 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -65.35 109.73 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.509 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 34.4 m -117.07 164.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -76.35 153.57 35.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' CYS . 15.5 tptm -34.78 -65.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -39.54 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.4 m -41.76 -55.0 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -45.65 -33.72 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.4 m -87.98 -40.56 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -38.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.62 -19.68 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.8 p -101.01 -18.59 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' THR . 20.2 ptt180 -81.61 -37.24 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.57 79.12 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.9 p -42.9 155.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 m -127.85 43.53 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -134.67 177.0 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -130.53 43.64 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.19 91.32 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.9 p -175.03 173.27 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' TRP . 3.7 mptt -46.98 173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.6 t90 -35.55 120.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.8 p -104.44 148.05 35.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.98 25.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.8 Cg_endo -69.72 130.84 20.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 16.8 pt20 -34.4 -40.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -95.72 97.2 9.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -100.2 -61.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.9 144.2 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.7 m -46.32 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.86 -172.06 44.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 86' ' ' SER . 54.3 Cg_endo -69.71 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 85' ' ' PRO . 74.1 m -32.09 116.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -84.79 174.73 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.467 ' HA2' ' CB ' ' A' ' 79' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -124.61 131.73 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -98.04 -12.8 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.08 96.42 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -105.93 158.59 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -75.19 109.07 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.46 55.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 mmt -129.91 40.67 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.69 170.58 7.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 p -38.91 113.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.1 mtm180 -113.15 -175.52 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -92.16 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -90.35 27.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.43 -43.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 24.0 p -121.41 -9.92 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.4 27.71 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' SG ' ' A' ' 15' ' ' CYS . 9.9 p -84.59 136.92 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -71.69 124.63 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.2 m-85 -66.72 107.07 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -126.44 171.82 10.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mp -34.61 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -65.82 -42.96 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.19 81.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -58.05 173.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -108.59 130.97 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 9.9 m-85 -120.08 162.57 19.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.07 143.54 14.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -91.15 165.56 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.33 -42.5 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.0 t30 -67.23 -74.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -69.91 -34.68 73.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.93 16.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -116.76 168.98 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.0 m-85 -137.47 160.53 38.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.53 141.52 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.2 t-20 -31.84 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.18 -48.45 69.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 84.2 m -79.11 -39.91 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -87.07 53.58 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.0 p -114.22 30.19 7.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.3 m-85 -128.86 162.89 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.55 147.5 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -169.27 153.13 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.97 120.76 10.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.14 124.84 38.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.49 2.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -103.69 -33.53 8.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.97 33.55 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.84 37.91 65.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 55.21 54.44 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -112.35 134.73 53.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -63.35 79.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -98.36 162.08 13.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -66.54 114.33 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.519 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.4 m -121.9 162.09 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -75.82 153.99 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 19.8 tptp -34.56 -65.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.62 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.9 m -42.35 -53.51 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -48.03 -33.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -88.75 -35.64 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.86 -37.28 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.8 mt -77.54 -15.44 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 p -103.32 -21.95 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -76.43 -30.82 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.98 -111.59 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.8 p -165.51 153.48 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.7 m -107.08 143.26 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -48.52 149.63 1.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.09 81.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.5 87.31 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m -165.16 173.53 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -96.6 98.6 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -138.07 116.16 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -96.51 142.64 24.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.82 65.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.226 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.12 3.92 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -42.07 -50.95 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -161.24 134.98 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -149.72 121.48 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -88.26 114.21 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.5 p -155.07 175.31 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.7 143.97 22.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 145.46 57.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 t -133.6 123.69 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.815 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -51.19 163.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.481 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -123.54 96.44 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -58.57 175.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.66 154.78 45.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -68.75 -56.06 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -136.23 154.73 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.49 -113.8 3.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.14 140.7 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.4 -61.42 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m -104.56 106.16 16.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 24.9 mtm180 -118.12 -176.15 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.3 t -91.81 142.52 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -89.04 26.03 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.84 -39.82 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 22.7 p -126.24 -9.79 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 70.46 27.82 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG1' ' SG ' ' A' ' 15' ' ' CYS . 12.3 p -84.34 127.31 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -63.53 134.6 55.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 38.7 m-85 -77.98 126.68 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 70.5 p -143.81 174.77 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.6 mp -38.01 -54.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.82 -46.86 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -97.79 81.23 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.66 172.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -110.8 129.64 55.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.3 m-85 -116.2 162.15 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.08 144.86 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.97 166.24 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -108.83 -41.91 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.4 t30 -67.13 -74.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.7 p -70.35 -33.84 71.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.84 44.64 19.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.9 mtt180 -116.1 171.58 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.97 128.33 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.6 m-85 -137.05 160.22 39.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.2 p -95.71 141.45 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -31.15 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.49 -50.59 58.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.8 m -77.58 -38.3 48.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.3 54.0 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 p -113.97 31.88 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.8 m-85 -132.02 158.51 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.61 137.1 39.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.24 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.81 119.83 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.68 123.75 41.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.171 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.88 4.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -101.36 -30.95 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.48 27.9 4.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.65 40.84 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.36 52.15 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -114.37 137.56 51.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.3 92.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -108.95 161.77 14.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -67.72 106.8 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.533 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -114.52 163.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -76.82 153.55 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' CYS . 4.2 tppp? -34.67 -65.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -39.53 -73.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.0 m -42.77 -52.56 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 1.8 t-80 -47.74 -33.01 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -89.75 -36.27 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -34.79 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.1 mt -80.33 -16.79 53.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -102.69 -17.94 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -80.19 -31.78 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' SER . . . -110.31 -104.75 2.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 45.6 m 34.58 41.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.818 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -102.25 105.56 16.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -48.8 125.36 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -162.0 165.76 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.61 167.01 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t -85.68 71.37 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.52 133.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -167.15 123.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -123.29 140.12 33.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 79' ' ' GLN . 53.3 Cg_endo -69.75 155.85 64.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 16.32 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.9 mt-30 68.08 43.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -123.76 -44.15 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -75.57 160.12 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -99.51 112.4 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -58.41 167.13 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.99 89.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.2 3.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.1 p -122.98 100.45 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -126.01 113.09 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.444 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -72.09 -50.6 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -153.09 134.66 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.04 150.05 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -63.96 130.83 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -40.28 -60.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.58 -162.17 17.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.48 109.79 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.14 -54.85 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -110.78 104.1 12.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 23.3 mtm180 -118.23 -176.14 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' CB ' HG11 ' A' ' 17' ' ' VAL . 38.3 t -92.05 142.92 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -89.36 25.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.71 -39.87 0.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.89 -11.02 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.98 27.09 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG11 ' CB ' ' A' ' 12' ' ' CYS . 7.9 p -82.56 137.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -74.76 122.19 22.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.0 m-85 -64.94 102.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.2 p -123.02 173.62 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.3 mp -35.53 -51.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -68.02 -46.81 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.27 105.88 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -75.22 166.87 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.483 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.9 tt0 -104.93 129.24 53.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.494 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 11.3 m-85 -121.43 163.09 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.8 146.73 17.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.14 158.81 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -100.25 -43.35 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 7.6 t30 -64.59 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.42 -36.01 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.89 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 86.5 mtt-85 -117.34 165.67 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.05 125.59 34.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.48 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.3 m-85 -132.69 162.29 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.7 p -96.5 141.23 30.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.1 t30 -32.06 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.69 -48.44 67.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 89.7 m -79.75 -39.07 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.04 58.89 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 30.13 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.541 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 7.6 m-85 -129.22 160.61 32.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -138.55 138.83 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.74 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 53' ' ' GLN . 8.9 mt -57.17 117.69 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 122.35 45.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.643 0.735 . . . . 0.0 111.149 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.13 37.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -75.72 -41.62 52.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -28.84 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.83 46.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 53.84 49.47 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLN . 16.5 p -119.17 132.29 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' N ' HD21 ' A' ' 45' ' ' LEU . 8.1 tt0 -61.89 77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 20.3 mm-40 -92.14 160.29 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -68.85 112.9 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.534 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -119.88 165.62 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -79.07 156.54 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.4 tptp -36.32 -66.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -40.02 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 55.6 m -41.87 -54.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -46.01 -34.41 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ARG . 17.7 m -87.1 -43.49 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -41.55 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.32 -20.63 61.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -101.61 -13.74 17.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.8 ptm180 -93.02 3.14 56.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 66' ' ' ARG . . . -31.78 101.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -75.91 -32.13 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -62.48 101.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -119.12 -45.55 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -68.25 156.64 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 54.06 41.39 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -111.36 -54.5 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.48 100.8 9.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 60.2 t90 -162.55 148.67 12.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.8 p -134.25 142.51 43.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.489 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.6 Cg_endo -69.78 153.29 69.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.23 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.83 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -71.3 -52.8 16.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -96.11 91.23 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -94.94 -48.85 5.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -107.94 -25.86 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.7 t 35.03 41.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.76 155.81 27.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.78 114.39 3.69 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.3 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' PRO . 3.4 t 34.48 42.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.0 m -116.63 134.67 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.543 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -97.38 90.11 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 91.37 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.14 178.67 50.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -62.26 100.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.376 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -91.27 86.19 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.55 45.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 mtt -92.45 96.26 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.687 0.28 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.18 -178.28 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 67.3 m -57.5 104.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 58.4 mtt180 -110.79 -175.72 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -89.93 144.19 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.76 25.35 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.97 -41.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.46 -10.07 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.39 26.75 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -80.43 146.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -83.15 130.57 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.7 m-85 -75.12 126.12 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LEU . 48.5 p -146.6 171.85 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.4 mp -35.22 -51.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.35 -50.06 36.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -95.67 81.86 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -56.88 172.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.7 tt0 -110.85 130.59 55.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 5.7 m-85 -116.18 161.7 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.92 145.63 16.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.51 166.26 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -109.02 -41.37 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.1 t30 -67.51 -74.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.0 p -70.27 -35.56 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.05 44.21 12.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.5 mtt-85 -117.41 166.89 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.87 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.2 m-85 -137.15 161.84 35.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.0 p -96.81 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -30.42 -37.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.91 -49.35 68.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 91.5 m -78.83 -37.7 39.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -89.78 57.77 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -118.14 33.63 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.1 m-85 -133.5 161.56 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -138.97 138.52 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.28 149.13 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.25 121.1 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.31 124.51 35.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.43 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.4 mtp-105 -108.96 -28.88 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 25.09 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASN . . . 75.95 50.33 7.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 6.0 p-10 43.1 54.96 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.5 p -127.07 145.04 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.82 102.89 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -116.24 160.8 19.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -65.82 106.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -115.01 161.91 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.0 p -73.69 154.51 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' CYS . 3.9 tppp? -35.8 -65.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.3 -74.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.3 m -41.1 -55.85 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -44.97 -34.04 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 66' ' ' ARG . 19.9 m -88.18 -37.6 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.84 -39.36 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.03 -19.57 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.6 p -99.35 -21.16 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.8 ptt85 -76.51 -30.95 57.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.02 -105.46 2.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.93 161.35 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m -105.61 152.25 23.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.62 178.56 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -64.04 154.17 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.06 171.37 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -72.19 84.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 75' ' ' TRP . 11.7 tmtt? -97.49 149.26 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 79.4 t90 -33.92 116.04 0.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -92.54 134.79 27.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.714 0.769 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.552 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 54.0 Cg_endo -69.72 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 79' ' ' GLN . 53.5 Cg_endo -69.82 -165.4 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 80' ' ' ASN . 9.7 tm0? -44.39 170.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 79' ' ' GLN . 95.1 m-20 -30.66 -43.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 20.5 t80 38.61 30.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 80' ' ' ASN . 3.0 mtpm? -151.82 178.07 9.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -91.19 -41.76 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.94 83.64 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.48 41.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.9 p -162.33 143.8 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 t -150.72 164.31 36.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -103.26 143.6 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -91.41 135.39 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 -113.74 6.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -55.24 157.1 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -140.72 167.47 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.05 118.62 2.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 tpp -68.82 93.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -82.31 -173.96 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.7 m -58.72 109.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -124.91 -177.42 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -89.83 147.77 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -93.53 27.68 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.05 -42.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.9 p -120.01 -10.99 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.47 26.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.4 141.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 139.78 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 35.7 m-85 -85.3 128.68 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -142.27 173.73 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mp -41.67 -42.11 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.24 -41.77 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 99.49 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -68.67 160.24 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 8.8 tm-20 -104.87 133.3 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 3.5 m-85 -115.2 161.03 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.73 146.0 16.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -93.82 165.97 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -108.98 -41.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.0 t30 -67.03 -74.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.97 -35.1 74.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.4 45.09 11.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 82.7 mtt180 -117.75 170.41 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 128.54 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.64 158.6 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLY . 21.3 p -93.83 141.47 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -31.38 -37.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.84 -49.93 64.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.0 m -78.23 -39.14 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -87.66 59.46 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 p -119.79 33.85 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.6 m-85 -133.77 159.56 40.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 137.99 40.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.32 148.03 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -54.57 121.32 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -106.76 121.9 43.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.63 37.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -75.78 -38.52 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.28 -30.4 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.42 41.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.49 50.65 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -120.31 133.54 55.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.48 81.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -98.16 158.16 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -65.34 110.57 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.51 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.46 162.52 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.89 154.62 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 21.0 tptp -35.73 -65.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.6 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.9 m -41.56 -55.59 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -46.29 -32.92 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' ARG . 39.9 m -87.05 -42.35 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.441 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -59.99 -40.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 mt -72.07 -20.34 61.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 p -102.02 -16.54 16.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' THR . 6.9 ptp180 -83.45 -38.85 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.6 64.58 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -101.97 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -45.03 120.49 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -154.88 167.58 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.76 132.08 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 132.01 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -154.12 143.72 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -70.11 123.86 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -138.0 119.62 15.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.2 p -106.16 154.2 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 135.29 30.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.74 2.293 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' ASN . 8.8 mt-30 -76.47 -42.97 41.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' GLN . 2.8 t-20 -34.57 -56.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 80' ' ' ASN . 11.2 t80 -35.36 146.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -57.88 133.32 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -172.87 172.78 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.39 -160.24 30.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.86 3.4 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t 71.25 42.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.8 p -94.52 146.5 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.54 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -97.02 122.24 39.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -83.35 118.33 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.07 82.94 0.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -144.89 169.7 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.51 154.32 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.96 145.26 9.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.61 89.05 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.91 -176.35 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -59.12 104.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 13.2 mtp180 -120.63 -178.76 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.61 141.97 28.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.4 t80 -86.34 25.34 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.56 -41.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -123.9 -12.11 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' NE ' ' A' ' 11' ' ' ARG . . . 74.63 25.14 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.59 127.42 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -76.23 117.39 17.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -134.05 175.28 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -40.49 -46.99 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.98 -41.41 64.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -104.31 98.71 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -68.21 168.86 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 17.3 tt0 -109.9 132.09 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.5 m-85 -118.42 161.94 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.72 146.36 16.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -94.3 167.04 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -109.54 -42.17 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.9 t30 -66.87 -74.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.21 -35.65 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.01 44.14 12.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 82.6 mtt-85 -117.36 168.16 10.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.15 128.99 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.6 m-85 -136.42 161.19 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.2 p -96.25 139.86 31.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -30.01 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -62.75 -49.48 72.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.1 m -79.16 -38.14 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.84 58.39 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -119.08 34.07 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 19.1 m-85 -133.66 158.18 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -135.77 138.17 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.33 149.57 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -53.61 122.1 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.33 122.85 39.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.25 35.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -73.72 -38.46 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.56 -26.52 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 51' ' ' ASN . . . 124.94 53.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 4.0 p-10 48.08 53.69 11.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.7 p -122.14 135.03 54.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.98 84.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -102.8 156.78 17.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -63.24 108.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.8 m -117.12 160.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -72.53 153.74 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 36.1 tptt -35.24 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.5 tt0 -39.37 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -41.01 -56.84 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.9 t-80 -44.35 -33.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' ARG . 20.9 m -87.87 -39.07 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.1 mt -62.45 -37.42 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -77.23 -15.92 59.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.967 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.9 p -104.9 -19.26 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' THR . 2.7 ptm180 -76.94 -31.99 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.47 -99.95 2.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 m -173.99 151.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ASP . 13.4 t -57.27 143.93 37.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 5.2 t70 -34.94 103.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -45.89 104.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.39 -42.64 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -51.57 139.73 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -104.2 117.48 34.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -128.21 136.6 51.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -133.58 151.82 77.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 165.95 29.23 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.38 53.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.22 -23.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -127.18 87.07 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -101.04 40.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 1.3 tmmm? -151.61 125.64 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.1 p -169.87 133.02 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.26 -139.21 10.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.01 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 p -67.83 -53.01 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -86.77 85.91 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.461 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -99.92 106.28 18.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.7 m -147.79 112.47 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.25 46.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -48.25 -45.6 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -130.63 144.76 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.64 -153.38 28.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 8' ' ' MET . 6.2 ptm -88.75 83.64 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -95.05 -61.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -115.52 101.42 8.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 18.6 mtt180 -121.32 -179.07 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -89.74 143.65 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.59 25.91 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.54 -39.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -125.23 -13.39 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.42 25.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -81.43 122.89 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -62.03 128.4 35.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -71.88 122.76 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 p -139.53 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.187 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.65 -43.73 2.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.53 -35.16 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -108.26 94.25 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 165.77 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 42.3 tt0 -107.02 129.88 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.2 m-85 -117.97 161.74 19.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.09 146.4 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.38 165.65 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -108.77 -40.74 4.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.9 t30 -67.51 -72.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.3 -36.44 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.32 44.72 9.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.6 mtt-85 -117.77 166.63 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.8 126.85 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.4 m-85 -134.43 160.1 39.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -94.53 140.53 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.4 t30 -31.13 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.06 -49.14 69.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.1 m -78.99 -38.89 35.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -87.98 59.93 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -120.8 33.02 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.1 m-85 -132.35 161.0 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.93 141.36 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.69 145.48 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.08 121.37 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.64 123.28 41.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.576 0.703 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -102.6 -30.46 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.85 28.28 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 47.63 8.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 43.93 51.12 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -109.96 139.54 44.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -66.62 89.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -106.92 158.12 17.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -65.65 108.79 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.495 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.9 m -116.14 161.39 14.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.5 p -72.62 154.75 40.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 34.6 tptt -36.01 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.6 tt0 -39.51 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.7 m -39.03 -56.16 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 6.3 t-80 -44.93 -35.64 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' GLN . 21.2 m -85.74 -36.98 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.0 mt -61.53 -51.36 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.78 -49.39 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -65.64 -36.27 83.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -60.89 -62.15 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.32 116.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.9 p -150.2 150.0 30.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -48.65 126.49 11.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -118.93 152.05 37.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -57.91 153.87 13.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 169.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -125.7 168.71 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -84.92 140.86 30.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -86.43 135.72 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -140.65 150.27 59.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.42 68.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.91 67.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -64.93 160.46 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 56.39 49.74 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -90.24 172.69 8.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -81.82 -56.39 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -101.13 109.04 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.17 -173.56 44.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 157.0 61.94 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.406 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.0 t -98.47 118.85 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.7 p -117.09 172.94 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -43.12 -48.53 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -127.86 171.07 12.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.7 50.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -132.0 158.92 40.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -53.09 168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.46 -46.53 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt 39.99 37.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.735 0.302 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -85.21 -176.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 p -57.71 109.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 42.9 mtt180 -117.99 -175.43 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 t -92.59 141.44 28.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -88.21 27.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.57 -41.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.8 -11.97 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.97 25.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.96 125.58 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.44 132.55 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -76.21 127.46 32.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 21' ' ' LEU . 62.4 p -147.08 170.65 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.5 mp -33.94 -53.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.52 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -97.33 81.84 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -57.6 171.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 56.3 tt0 -110.77 131.67 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.486 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.5 m-85 -117.58 162.13 18.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.06 145.84 16.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.29 164.36 13.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -107.35 -40.12 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.3 t30 -68.13 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.1 p -70.49 -35.11 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.99 44.28 12.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.8 mtt180 -117.25 168.48 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.88 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.18 161.5 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -96.07 140.73 30.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.1 t30 -31.22 -37.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.33 -48.83 70.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.9 m -79.26 -38.94 34.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -88.4 60.78 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -120.22 34.01 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.809 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.577 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -134.01 163.27 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.38 140.88 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.1 153.19 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.4 mt -57.44 122.38 12.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.74 121.51 42.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -17.97 37.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.28 . . . . 0.0 112.379 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -75.87 -37.33 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.94 -30.26 21.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.76 49.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 50.61 48.22 22.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 p -118.46 131.81 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.8 tt0 -63.84 89.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -106.09 160.89 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.03 109.24 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.2 m -116.95 162.01 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.08 154.01 39.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' CYS . 40.8 tptt -35.0 -65.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.442 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.6 m -40.07 -54.54 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.2 t-80 -47.08 -35.07 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 38.7 m -85.76 -38.04 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.24 -50.59 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.21 -41.75 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 p -74.18 -31.4 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -69.43 -64.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.33 61.06 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.8 m -128.52 40.33 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -80.73 -56.11 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.78 116.08 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -78.61 97.9 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.21 130.17 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -74.25 133.43 42.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.79 152.04 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.635 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 1.6 p-90 -135.97 146.94 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.7 p -107.95 111.63 62.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.635 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.78 170.4 16.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -167.46 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -46.85 174.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 1.2 p30 -41.5 138.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 15.7 m-85 -167.26 -175.86 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 102.35 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 t -47.74 134.62 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.0 -140.86 3.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.74 2.16 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.381 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.0 p -118.7 178.61 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.6 m 54.87 42.01 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.46 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -98.74 103.75 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 p -132.76 162.43 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.71 95.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -70.5 95.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.1 -94.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtt -122.49 132.41 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.8 mp0 -63.86 176.19 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' GLU . 13.5 m -36.77 112.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -108.72 179.17 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.64 145.83 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.21 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.28 -42.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 27.0 p -123.06 -10.65 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.65 26.09 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG1' ' SG ' ' A' ' 15' ' ' CYS . 11.7 p -81.82 125.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -60.96 132.08 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 41.5 m-85 -77.11 123.15 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -142.59 169.51 17.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.0 mp -32.75 -52.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.41 -47.86 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 82.26 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -56.81 176.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 33.8 tt0 -113.12 128.14 56.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.5 m-85 -115.17 161.64 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.43 147.06 17.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -93.97 167.95 11.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -108.73 -45.3 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.422 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 13.9 t30 -64.79 -73.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -71.4 -35.98 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.96 13.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 84.7 mtt-85 -115.38 164.2 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.18 124.86 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.0 m-85 -133.91 158.96 42.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.7 p -94.81 140.43 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -29.58 -39.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.19 -50.18 65.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 98.2 m -77.93 -36.5 49.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -90.88 55.79 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -116.16 31.63 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -130.72 161.81 30.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.48 146.59 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -166.68 146.15 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 53' ' ' GLN . 17.1 mt -54.25 118.6 4.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.24 121.37 50.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -12.94 33.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' NE ' ' O ' ' A' ' 30' ' ' ASN . 9.9 mtm180 -81.8 -39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.88 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.76 42.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.26 47.6 16.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 p -116.32 139.93 49.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' N ' HD22 ' A' ' 45' ' ' LEU . 28.3 tt0 -71.27 79.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -95.43 159.8 14.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -66.4 110.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.5 m -118.81 163.02 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.2 p -74.62 159.0 32.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.28 -66.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.53 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 58.3 m -40.44 -55.12 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.6 t-80 -44.95 -36.44 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -85.37 -40.96 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -58.32 -45.14 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -72.11 -10.24 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -114.68 -2.65 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -98.15 -39.74 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' C ' ' A' ' 68' ' ' SER . . . -150.73 38.69 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 67' ' ' GLY . 79.7 p -30.31 106.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.839 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.8 p -121.5 128.85 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -134.67 45.97 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -98.55 45.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.79 115.74 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 74' ' ' LYS . 29.3 p -50.44 -45.86 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 73' ' ' SER . 55.8 mttt -159.59 119.34 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -134.6 138.52 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 p -125.77 153.39 73.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.65 69.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.265 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 178.88 4.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -42.19 -46.61 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.27 -178.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 62.82 43.63 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.98 -49.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -38.61 -43.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.95 150.25 3.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.81 69.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.2 t -135.77 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' SER . 25.7 t -35.04 -46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.483 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -81.8 43.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -99.15 120.91 40.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.89 -127.99 1.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 44.7 t -85.85 99.56 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 11.6 t -37.02 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.71 98.51 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mmm -92.29 84.2 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.707 0.289 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -97.6 176.02 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 57.9 m -51.06 105.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -108.81 -176.52 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -89.77 144.2 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -91.38 27.56 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.81 -40.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 p -123.74 -10.65 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.45 27.68 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.51 129.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -68.55 127.09 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.6 m-85 -69.68 107.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' LEU . 57.5 p -124.5 169.48 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.3 mp -34.97 -53.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -65.72 -42.17 91.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -104.35 102.72 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -72.68 160.5 32.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.9 tt0 -100.13 129.72 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 6.0 m-85 -117.42 162.11 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.86 145.59 16.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -93.6 167.23 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -110.4 -41.37 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.7 t30 -67.47 -74.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.9 -35.97 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.59 11.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 83.9 mtt180 -118.39 169.32 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.82 129.6 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.9 m-85 -137.11 160.58 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.82 140.91 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.6 t30 -30.89 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.08 -49.47 66.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.9 m -79.14 -37.37 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -90.1 56.37 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.7 p -115.21 32.13 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.0 m-85 -131.71 162.18 31.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.6 139.01 36.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.18 149.32 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.13 119.27 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -104.18 122.44 44.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.15 36.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.92 -42.35 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.31 -31.39 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.46 42.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 58.98 51.32 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLN . 17.9 p -120.87 133.22 55.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -62.51 78.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' THR . 17.6 mm-40 -94.6 158.22 15.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.92 112.43 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.8 m -120.27 160.84 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.24 156.15 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 11.0 tptm -36.36 -66.07 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.73 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.5 m -40.78 -54.64 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.2 t-80 -45.87 -35.73 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 m -85.76 -39.64 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -61.44 -37.33 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -77.23 -14.33 59.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.0 p -108.26 -17.05 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' THR . 8.3 ptm180 -80.74 -38.73 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' ARG . . . 34.08 59.18 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.3 p -134.01 -33.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.819 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -76.15 -44.34 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.36 127.72 56.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.64 138.48 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 123.57 20.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -106.25 111.5 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -74.4 -176.89 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.478 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -159.79 162.98 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.3 t -88.61 131.91 40.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.72 52.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 159.25 54.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -43.85 -55.49 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -95.29 114.7 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -127.35 144.06 51.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -122.87 136.37 54.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.3 m -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.7 12.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 125.64 12.39 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 0.0 112.394 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 m -152.58 158.35 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.8 p -60.64 139.72 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -42.91 -50.13 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -90.47 162.06 15.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.87 148.55 5.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t 68.54 45.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -114.5 149.77 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 -33.06 60.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 mtt 55.57 50.58 14.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.06 178.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.1 m -40.51 112.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -114.95 -177.13 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -92.33 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -90.59 27.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.35 -41.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.14 -12.47 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.35 25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -80.36 121.55 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 4.9 ttpp -60.94 126.48 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.7 m-85 -69.6 132.97 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.53 ' OG1' ' CE2' ' A' ' 22' ' ' PHE . 41.4 p -145.71 176.95 9.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -44.68 -38.32 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE2' ' OG1' ' A' ' 20' ' ' THR . 0.1 OUTLIER -86.91 -38.37 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.6 67.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -46.39 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.1 tt0 -110.08 130.22 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.4 m-85 -114.85 160.94 18.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.33 146.23 16.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -93.67 166.88 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -109.29 -42.36 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.2 t30 -66.41 -72.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -72.84 -36.51 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.61 44.89 10.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 79.3 mtt-85 -117.3 164.98 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.04 127.7 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.3 m-85 -136.21 159.68 41.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.29 140.61 29.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -30.43 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.56 -49.87 66.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.6 m -78.76 -37.25 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -90.15 55.86 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -116.74 32.6 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.7 m-85 -132.06 163.9 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -141.42 140.85 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.99 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.13 120.62 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.9 t -103.64 124.76 36.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 3.66 2.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -104.87 -30.72 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.99 34.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.14 48.56 38.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 43.27 53.03 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -111.64 141.69 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -70.36 84.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -101.46 160.24 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -66.32 110.73 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 25.5 m -118.53 160.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.8 p -72.65 155.83 39.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' CYS . 23.5 tptp -36.94 -66.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.04 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.7 m -40.94 -54.83 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.65 -33.95 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ARG . 40.2 m -86.03 -42.15 14.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -60.36 -42.04 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.74 -19.75 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.0 p -102.03 -19.08 15.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 3.8 ptp180 -80.31 -46.11 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 66' ' ' ARG . . . 84.13 -45.9 3.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -46.51 104.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -166.76 150.73 7.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.27 92.36 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 41.6 41.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.81 -52.69 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.3 m -59.69 175.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 140.79 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -158.28 129.57 6.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.8 m -129.25 151.2 77.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.698 0.761 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 138.88 38.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 80' ' ' ASN . 3.2 pt20 -64.78 126.94 29.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' GLN . 39.8 t-20 33.86 49.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 9.9 t80 -41.44 -65.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 34.25 46.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.57 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 2.0 m -111.19 -44.15 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.39 136.57 5.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 1.26 4.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.398 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.3 m -102.43 160.57 14.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -140.82 153.0 45.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.485 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m -117.97 132.93 56.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -159.36 154.23 24.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.8 117.56 0.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -121.64 165.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -160.86 175.64 12.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.37 -156.05 27.76 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -143.31 136.58 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -154.59 -175.87 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -56.52 109.71 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -110.84 177.85 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.99 149.12 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -92.58 25.53 3.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.71 -43.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -120.44 -12.14 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.34 26.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.97 142.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -78.62 130.92 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -78.77 122.18 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 74.7 p -140.82 -177.39 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -38.2 -62.6 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.7 -46.85 80.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -91.84 94.34 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -72.47 167.52 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.0 tt0 -103.52 129.27 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.479 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 4.9 m-85 -116.01 159.94 20.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.61 146.84 16.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.78 165.82 12.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -107.64 -41.1 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.6 t30 -68.17 -73.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 p -72.28 -34.61 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.11 45.49 15.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 73.1 mtt-85 -117.03 168.6 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.92 127.38 35.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.5 m-85 -135.36 162.04 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.83 140.48 30.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -31.38 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.45 -48.2 71.01 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.7 m -79.28 -37.96 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -89.58 57.24 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.8 p -118.55 33.01 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.585 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.0 m-85 -132.01 160.64 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -136.71 140.76 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.92 152.67 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.3 124.06 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.94 122.09 40.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.45 32.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -80.77 -39.8 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.56 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.46 41.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.27 48.06 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 p -118.09 138.76 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -69.56 85.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -101.78 160.59 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.77 110.3 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.44 162.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -74.85 153.54 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' CYS . 10.5 tppt? -34.98 -65.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -39.34 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.8 m -41.48 -55.54 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.585 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.5 t-80 -46.63 -33.57 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -87.56 -36.78 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.05 -42.05 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.2 mt -72.79 -16.97 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -100.69 -24.42 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -74.91 -31.81 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.97 -125.75 3.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 m -174.67 159.24 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -42.57 70.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.52 112.78 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -123.49 136.08 54.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.36 132.57 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t 51.91 41.75 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 74' ' ' LYS . 1.6 pptp? -49.95 142.77 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -88.36 128.54 35.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.8 t -130.21 143.44 49.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.1 36.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.8 23.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -39.33 -42.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.53 131.46 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -157.75 122.93 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp 53.73 41.96 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -145.5 139.92 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.71 -177.52 30.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -23.48 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.7 m -51.51 126.02 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -108.32 100.38 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -67.23 158.18 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -122.86 132.73 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.55 126.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -128.25 115.7 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -142.35 116.97 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 -105.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -49.0 114.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -125.59 -52.58 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 m -108.84 99.86 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 9.3 mtp180 -126.89 -176.03 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.2 t -87.18 145.81 26.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -90.86 26.62 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.8 -41.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 p -121.91 -10.21 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' O ' ' NE ' ' A' ' 11' ' ' ARG . . . 74.53 25.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.9 147.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -89.22 127.92 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 36.0 m-85 -72.93 132.52 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -142.15 -175.6 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -52.3 -43.26 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.09 -36.23 41.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -104.47 96.9 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -69.88 162.8 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.442 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 10.0 tm-20 -105.64 132.17 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 2.8 m-85 -113.95 161.47 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 146.88 16.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.82 160.48 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -101.53 -44.24 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.5 t30 -64.06 -74.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -71.84 -34.36 69.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.61 45.51 17.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 88.9 mtt180 -115.9 166.96 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.56 124.98 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.6 m-85 -133.25 158.1 43.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' CYS . 17.5 p -93.75 147.85 22.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.2 -37.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.19 -38.38 95.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.9 m -88.76 -47.51 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.7 OUTLIER -79.3 59.16 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 p -119.58 33.29 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.576 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 16.5 m-85 -133.8 158.64 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.78 137.19 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.94 149.05 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 120.21 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -103.73 122.29 45.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.175 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.4 3.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -101.44 -35.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.8 22.22 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.55 50.24 4.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 41.96 52.93 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -114.62 137.96 51.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.44 89.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -106.75 160.49 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -67.06 105.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.0 m -112.28 167.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.8 p -80.01 154.64 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 13.4 tptm -35.45 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -39.33 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.1 m -42.53 -53.86 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.69 -32.74 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 m -89.47 -38.38 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -37.18 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.93 -20.33 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 p -98.64 -21.78 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' GLY . 15.0 ptt180 -76.2 -37.66 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' ARG . . . 37.05 75.53 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 m -107.53 -59.97 1.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -81.61 113.85 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.29 146.11 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -47.49 148.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.02 104.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -137.11 128.89 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -127.64 145.54 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.626 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 5.2 p-90 -110.45 141.95 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 97.2 p -98.61 135.02 21.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.626 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 53.6 Cg_endo -69.75 152.57 69.4 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 179.63 3.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -69.27 -53.42 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -87.09 81.82 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -172.14 113.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -138.25 146.94 43.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -147.45 158.8 44.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.53 -174.88 17.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 t -55.13 108.71 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -134.23 143.41 47.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -91.56 116.7 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -94.86 82.69 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.56 69.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -85.45 119.18 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -105.31 142.33 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.38 69.07 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -122.45 90.34 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.84 -175.31 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 p -57.31 109.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mtt180 -112.44 -175.69 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 t -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -92.06 27.36 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.61 -39.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.67 -10.31 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.86 27.05 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -80.92 148.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -87.17 120.3 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 31.6 m-85 -64.64 113.46 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LYS . 50.2 p -134.88 172.74 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -37.17 -44.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.52 -38.69 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' THR . 17.6 tptt -107.29 97.72 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -68.47 164.48 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.74 133.62 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.5 m-85 -123.09 162.24 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.87 146.7 16.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.22 166.55 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -109.14 -41.45 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.5 t30 -67.64 -74.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -69.79 -35.39 74.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.97 44.3 12.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.4 mtt-85 -118.64 165.4 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.51 132.38 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.9 m-85 -139.51 159.45 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -94.37 147.38 23.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -38.51 -36.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.93 94.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.4 m -89.41 -46.74 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -80.15 59.64 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -120.72 35.41 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 19.7 m-85 -135.24 159.17 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.33 138.27 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.44 148.34 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.94 121.12 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.08 121.93 43.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.94 37.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -76.01 -40.95 52.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.97 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.08 41.9 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.68 51.38 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.985 0.421 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 p -121.57 134.11 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -63.37 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -98.16 157.04 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -65.16 108.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -116.15 165.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -77.29 155.32 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 9.0 tptm -36.2 -65.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -39.77 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.0 m -41.62 -53.45 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.8 t-80 -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' ARG . 85.7 m -86.61 -42.69 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.08 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.33 -17.02 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -105.21 -15.78 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.5 ptm180 -87.77 -42.88 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' A' ' 66' ' ' ARG . . . 171.07 102.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.3 t -60.64 92.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -73.56 169.02 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -77.05 178.8 6.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -155.38 178.47 10.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -44.2 169.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 51.2 p -34.46 121.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 123.7 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 6.1 t90 -52.11 131.0 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -94.3 153.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.73 165.5 30.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -176.76 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -85.45 41.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 80' ' ' ASN . 34.5 t30 -129.41 40.23 3.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LYS . 4.9 t80 -136.83 162.78 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 21.9 tptm -37.41 113.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.9 p -154.7 151.53 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.61 166.56 7.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 86.64 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -85.95 174.12 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 t -77.24 136.61 38.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.528 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -174.72 149.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -152.43 149.34 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.71 117.04 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -151.08 173.58 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -88.4 152.52 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 11' ' ' ARG . . . -43.44 119.71 2.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ptp -83.2 41.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.53 -175.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -61.16 108.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 35.6 mtm-85 -117.59 -174.87 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.5 t -93.45 145.02 24.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -91.54 28.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -125.28 -11.51 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.69 25.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.25 131.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 126.18 28.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.9 m-85 -69.39 115.23 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' LEU . 31.1 p -137.03 172.38 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mp -33.82 -53.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -68.59 -50.64 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.65 84.28 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -58.34 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.553 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 22.1 tt0 -111.79 130.35 55.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 6.4 m-85 -120.07 162.67 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.46 146.02 16.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -93.44 165.69 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -109.21 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 9.3 t30 -68.96 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.2 p -70.13 -35.64 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.13 44.25 9.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 83.6 mtt180 -118.22 167.77 11.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 128.71 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.3 m-85 -135.56 157.92 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.2 p -92.23 147.91 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -39.23 -36.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.42 93.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.3 m -89.34 -47.34 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.543 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -79.56 59.29 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.4 p -119.22 34.65 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.8 m-85 -134.48 160.59 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 137.21 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.9 149.81 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.74 122.2 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -108.9 122.11 40.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.19 34.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -73.39 -37.35 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.16 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 54.8 47.99 21.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -118.92 134.98 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.87 87.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -104.14 158.36 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.46 107.97 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.8 m -115.79 163.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -75.95 154.18 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' CYS . 5.0 tppp? -35.14 -65.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.3 tt0 -39.6 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.0 m -41.65 -54.96 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.0 t-80 -46.93 -33.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -88.17 -35.0 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -66.53 -39.26 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -76.45 -13.07 60.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -105.45 -22.9 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 67' ' ' GLY . 6.3 ptm180 -74.09 -37.64 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -100.94 -100.86 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -174.87 177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -47.64 168.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -43.34 164.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ALA . 49.3 p-10 -40.52 155.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ASN . . . -34.22 126.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -56.97 179.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' TRP . 12.6 ttpt -48.13 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 40.8 t90 -33.18 131.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -107.44 157.17 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.7 Cg_endo -69.78 170.45 16.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.1 Cg_endo -69.78 -167.41 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' PRO . 18.0 tp60 -35.72 154.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 66.85 39.23 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 83' ' ' SER . 3.5 p90 -103.73 176.22 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.6 88.81 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . 31.0 t -151.57 119.26 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.56 134.76 42.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 113.6 3.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p -129.39 162.77 27.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.7 p -74.86 -44.73 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.499 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -68.65 154.01 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -88.35 128.74 35.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.03 136.46 2.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -152.0 150.88 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -164.77 120.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.12 122.13 3.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -94.76 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -84.19 -46.22 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -116.46 104.34 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 38.2 mtt180 -125.98 179.26 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 t -92.7 142.21 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 4.1 t80 -87.01 26.22 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.36 -38.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.87 -7.21 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 67.12 27.1 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.74 131.16 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -64.99 134.7 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 m-85 -78.99 121.84 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LEU . 38.5 p -145.99 170.68 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.2 mt -35.2 -45.76 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.48 -50.27 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -101.36 79.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.6 164.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 21.0 tt0 -106.27 125.81 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 3.7 m-85 -116.23 162.14 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.08 146.76 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.87 166.78 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -111.58 -38.43 4.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 8.7 t30 -69.11 -72.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -71.29 -37.32 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.6 43.52 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 80.5 mtt180 -118.08 168.6 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.57 127.89 35.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.2 m-85 -136.37 155.19 50.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' GLY . 23.0 p -88.61 140.37 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -31.26 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.67 -48.95 62.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.1 m -79.12 -32.65 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -94.86 57.85 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -117.06 34.07 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.9 m-85 -132.18 159.71 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -136.62 143.91 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.96 152.67 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.18 124.38 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.83 122.2 38.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -83.02 -38.71 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.0 -33.53 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.22 40.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.05 48.53 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 p -118.89 135.54 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.53 78.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -92.57 162.02 14.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -67.33 108.94 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -115.0 161.74 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.16 157.07 36.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' CYS . 22.5 tptp -37.58 -65.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -40.08 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -39.36 -55.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.3 t-80 -45.24 -36.18 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.418 HG21 ' CD ' ' A' ' 66' ' ' ARG . 21.8 m -84.46 -40.01 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.3 mt -60.0 -51.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.4 86.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -68.86 -30.55 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' CD ' HG21 ' A' ' 62' ' ' THR . 14.9 mtp180 -69.7 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.11 -39.12 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -119.5 40.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.0 t -83.94 41.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -147.63 154.64 40.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -101.47 145.86 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.53 106.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.4 m -149.15 133.33 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.88 111.75 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -53.84 128.18 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -134.17 142.91 44.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 138.69 38.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 175.6 7.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -75.94 157.42 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m120 55.81 34.31 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 4.2 p90 -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.97 115.91 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLY . 32.3 t -157.35 118.17 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 83' ' ' SER . . . 35.12 -140.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 84' ' ' GLY . 53.8 Cg_endo -69.73 166.78 26.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -111.91 132.73 54.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -129.73 117.5 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.439 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -84.04 47.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -141.88 117.58 10.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.74 -129.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -44.67 -58.28 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.903 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m 52.19 40.82 29.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.47 107.15 2.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 38.61 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -55.37 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -58.62 104.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -120.46 -175.38 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -92.55 144.5 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.68 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.7 -40.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -125.0 -12.06 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.98 25.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -79.74 121.29 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -63.55 128.81 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 22.8 m-85 -72.22 137.69 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 p -147.41 -176.18 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -42.59 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -84.08 -32.04 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -103.56 87.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -64.51 160.91 18.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 59.4 tt0 -103.23 136.37 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.0 m-85 -120.27 161.36 21.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.83 146.59 16.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -96.78 159.66 14.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -101.05 -42.94 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' N ' HG12 ' A' ' 46' ' ' VAL . 10.6 t30 -64.37 -74.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 p -72.05 -35.65 69.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.09 46.31 10.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.6 mtt180 -117.39 167.56 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.868 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.26 124.19 33.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 76.9 m-85 -132.53 160.7 35.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -95.67 140.53 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -30.81 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.53 -49.11 72.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.9 m -79.34 -38.66 34.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -88.94 58.3 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -119.65 33.47 5.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.6 m-85 -132.26 162.6 30.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 140.3 41.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.1 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -53.45 122.66 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 30' ' ' ASN . 32.8 t -110.82 121.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -16.12 37.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -77.97 -39.96 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.78 -29.1 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.46 44.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.08 49.41 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . 13.6 p -120.23 134.0 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.51 76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' THR . 25.6 mm-40 -93.86 160.62 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.22 113.6 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 m -120.72 164.25 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.4 p -75.91 156.29 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' CYS . 48.2 tptt -35.99 -66.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -39.99 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.2 m -40.42 -55.15 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.1 t-80 -45.16 -36.46 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ARG . 21.2 m -84.33 -43.86 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -57.11 -43.56 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.5 -7.76 53.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.2 p -119.26 -3.12 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.0 ptm180 -96.87 -42.04 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -157.07 50.74 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -94.1 169.54 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.3 p -161.23 166.58 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -77.06 106.4 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.78 101.45 13.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.29 -51.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 74' ' ' LYS . 75.4 p -168.63 118.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.5 tptm -34.26 118.76 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.511 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 75.6 t90 -107.45 127.59 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.3 p -115.89 131.3 23.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.8 169.26 19.39 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 156.81 62.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -68.29 148.14 51.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 56.64 51.05 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -67.45 -43.72 80.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.05 161.53 13.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t -94.21 100.2 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -159.02 151.87 22.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.27 16.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.1 p -152.17 157.18 41.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.9 p -97.26 164.95 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -82.76 163.51 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -40.47 158.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.19 -125.81 1.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 m -80.29 125.46 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -131.44 142.44 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.96 126.06 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.16 83.58 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -123.72 176.61 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m -42.48 112.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 29.5 mtm-85 -112.37 -176.46 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 t -93.47 141.11 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -87.6 28.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.61 -41.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.3 p -125.05 -8.35 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.3 28.25 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.08 124.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -61.91 131.02 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.46 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 33.2 m-85 -75.84 111.88 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LEU . 40.3 p -130.89 168.81 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.7 mp -32.55 -51.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -68.18 -45.06 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.3 tppt? -102.2 100.87 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 167.32 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -107.15 128.67 54.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 37' ' ' ASN . 5.6 m-85 -117.29 161.87 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.24 146.12 16.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.9 164.07 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -107.34 -40.75 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 9.5 t30 -67.35 -74.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -70.56 -35.99 73.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 43.96 10.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.3 mtt180 -117.52 165.17 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.36 128.18 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.8 m-85 -135.48 160.32 38.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 38' ' ' GLY . 16.8 p -94.86 140.56 29.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 2.9 t30 -31.22 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.87 -48.93 71.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.8 m -79.61 -38.59 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -88.36 55.8 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -115.5 29.54 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 14.4 m-85 -127.64 163.63 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.94 149.27 47.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.04 146.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 53' ' ' GLN . 15.1 mt -57.11 123.73 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.14 124.74 35.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -104.98 -30.06 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.05 31.43 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.16 43.19 33.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 46.54 52.75 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 p -111.99 139.01 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 16.8 tt0 -65.92 81.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -99.11 161.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.44 113.87 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.514 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -120.56 159.77 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -72.66 154.68 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' CYS . 15.4 tptm -36.15 -65.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.469 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.52 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.1 m -40.25 -55.88 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.8 t-80 -44.45 -33.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.8 m -88.21 -38.07 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 mt -60.93 -49.08 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.12 -46.11 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -69.4 -32.04 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -65.89 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.47 -134.46 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.4 t -154.96 140.99 18.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.4 p -77.55 159.54 29.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.78 156.15 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.92 155.41 19.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -173.57 175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' ALA . 30.9 t -34.77 114.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -113.68 175.14 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.62 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 6.0 p-90 -139.82 126.07 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.591 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 13.3 t -81.34 141.69 49.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.62 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 54.2 Cg_endo -69.75 157.99 58.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.1 Cg_endo -69.8 165.06 32.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.267 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' PRO . 10.2 mm-40 -34.06 -40.44 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -88.49 130.84 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -171.82 168.36 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -105.11 93.48 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.0 t -52.87 -52.2 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.17 173.04 4.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.58 45.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 t -122.29 146.02 47.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 t -48.35 -60.27 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.462 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -117.89 162.97 17.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -151.46 146.69 26.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.02 174.47 46.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 t -164.9 131.52 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -121.96 91.95 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.09 177.15 17.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 tpp -174.98 155.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.695 0.283 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' SER . 1.7 mp0 -62.9 179.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' GLU . 50.0 m -36.2 112.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -111.9 -178.73 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t -88.04 144.04 26.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -90.86 28.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.91 -41.87 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -124.08 -10.63 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.07 25.17 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.3 127.69 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.52 135.11 55.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.0 m-85 -80.66 129.43 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 p -150.21 176.29 10.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mt -38.71 -44.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -78.13 -53.23 7.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -92.48 80.36 4.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.27 174.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 32.8 tt0 -115.0 131.08 57.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 5.8 m-85 -118.16 161.8 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.25 146.45 16.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -94.35 166.59 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -109.94 -41.27 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 10.5 t30 -66.96 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.57 -37.1 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.81 44.39 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.1 mtt180 -118.12 166.29 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.28 129.79 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.7 m-85 -137.89 156.52 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -92.0 146.26 23.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -37.42 -35.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -39.14 94.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.9 m -88.72 -43.13 11.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -83.74 58.15 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -118.45 34.33 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 9.7 m-85 -133.85 162.02 33.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.11 143.59 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.783 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.19 148.65 8.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD22 ' CA ' ' A' ' 53' ' ' GLN . 17.9 mt -55.17 123.1 12.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 t -107.57 126.62 29.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 5.35 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -110.71 -30.26 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.95 29.75 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 51' ' ' ASN . . . 71.02 50.16 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 5.8 p-10 44.29 54.99 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.9 p -125.06 145.5 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CA ' HD22 ' A' ' 45' ' ' LEU . 34.9 tt0 -72.39 96.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -110.09 162.56 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.96 111.75 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 30.6 m -119.81 159.36 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -71.69 154.1 41.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' CYS . 26.9 tptt -35.51 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.25 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.2 m -41.01 -55.02 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 5.5 t-80 -45.84 -35.12 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -87.35 -36.19 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.71 -47.68 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.24 -46.94 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -68.25 -34.68 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -61.05 -61.32 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.74 75.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -49.54 175.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -89.72 170.78 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -92.81 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -87.58 90.78 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.93 89.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -71.91 162.72 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -99.72 131.15 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER -108.14 80.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.9 m -99.38 107.38 44.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.573 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.5 Cg_endo -69.75 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 176.74 6.32 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.252 . . . . 0.0 112.414 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.24 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -73.11 90.09 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 47.2 t80 -100.65 41.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -104.13 142.05 35.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.4 t -157.41 163.11 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.27 -165.61 53.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -82.15 40.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.5 p -81.9 90.86 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.458 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.7 143.0 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -90.25 26.09 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 -40.29 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -122.88 -10.61 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.45 26.92 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.38 140.0 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 8.0 ttpp -78.82 132.64 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.7 m-85 -76.81 121.55 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.473 ' CG2' ' HE3' ' A' ' 18' ' ' LYS . 39.6 p -140.96 175.48 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.57 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -40.05 -42.83 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.81 -42.35 34.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -104.58 95.69 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.39 162.45 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 19.9 tt0 -102.71 133.15 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.951 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -120.62 161.55 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.54 145.24 15.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.88 167.16 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.31 -42.4 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.1 t30 -67.21 -74.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -70.24 -33.03 71.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.41 23.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 84.9 mtt180 -116.17 170.12 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.76 129.01 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.67 163.58 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.9 p -98.65 141.26 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -31.58 -36.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.57 -48.89 68.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' CYS . 86.0 m -79.31 -40.78 29.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -85.46 58.76 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -120.11 32.55 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.2 m-85 -131.45 157.25 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -133.46 137.1 45.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.52 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD23 ' CA ' ' A' ' 53' ' ' GLN . 6.7 mt -56.16 120.18 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 48' ' ' ARG . 23.9 t -104.38 123.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.12 4.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.728 ' H ' HG12 ' A' ' 46' ' ' VAL . 44.7 mtp180 -99.78 -33.77 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.18 26.27 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.89 23.86 54.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.25 50.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -115.02 141.52 47.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' CA ' HD23 ' A' ' 45' ' ' LEU . 10.1 tt0 -65.09 85.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -101.26 157.98 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -65.35 109.73 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.509 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 34.4 m -117.07 164.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -76.35 153.57 35.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.5 tptm -34.78 -65.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.54 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.4 m -41.76 -55.0 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -45.65 -33.72 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.4 m -87.98 -40.56 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -60.52 -38.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.405 HD21 ' OD1' ' A' ' 30' ' ' ASN . 27.3 mt -75.62 -19.68 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.8 p -101.01 -18.59 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' THR . 20.2 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.1 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.834 0.35 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -92.16 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 2.7 t80 -90.35 27.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.43 -43.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' HG12 ' A' ' 17' ' ' VAL . 24.0 p -121.41 -9.92 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.4 27.71 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 15' ' ' CYS . 9.9 p -84.59 136.92 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -71.69 124.63 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.2 m-85 -66.72 107.07 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -126.44 171.82 10.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -34.61 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -65.82 -42.96 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.19 81.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -58.05 173.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -108.59 130.97 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.931 ' HB3' HD23 ' A' ' 40' ' ' LEU . 9.9 m-85 -120.08 162.57 19.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.07 143.54 14.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -91.15 165.56 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.2 mmtt -107.33 -42.5 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.0 t30 -67.23 -74.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -69.91 -34.68 73.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.93 16.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 87.1 mtt180 -116.76 168.98 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.0 m-85 -137.47 160.53 38.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.53 141.52 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.2 t-20 -31.84 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.18 -48.45 69.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 84.2 m -79.11 -39.91 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.07 53.58 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.0 p -114.22 30.19 7.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.3 m-85 -128.86 162.89 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.55 147.5 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -169.27 153.13 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.97 120.76 10.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 48' ' ' ARG . 35.9 t -102.14 124.84 38.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.49 2.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.736 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.5 mtp180 -103.69 -33.53 8.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.97 33.55 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.84 37.91 65.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 55.21 54.44 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -112.35 134.73 53.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -63.35 79.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -98.36 162.08 13.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -66.54 114.33 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.519 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.4 m -121.9 162.09 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -75.82 153.99 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 19.8 tptp -34.56 -65.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.62 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.9 m -42.35 -53.51 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -48.03 -33.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -88.75 -35.64 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.86 -37.28 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.8 mt -77.54 -15.44 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 p -103.32 -21.95 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 24.9 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.3 t -91.81 142.52 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -89.04 26.03 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.84 -39.82 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 17' ' ' VAL . 22.7 p -126.24 -9.79 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 70.46 27.82 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 12.3 p -84.34 127.31 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -63.53 134.6 55.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 38.7 m-85 -77.98 126.68 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 70.5 p -143.81 174.77 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.6 mp -38.01 -54.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.82 -46.86 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -97.79 81.23 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.66 172.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -110.8 129.64 55.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.914 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.3 m-85 -116.2 162.15 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.08 144.86 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.97 166.24 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.5 mmtt -108.83 -41.91 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.4 t30 -67.13 -74.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.7 p -70.35 -33.84 71.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.84 44.64 19.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.9 mtt180 -116.1 171.58 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.97 128.33 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.6 m-85 -137.05 160.22 39.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.2 p -95.71 141.45 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -31.15 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.49 -50.59 58.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.8 m -77.58 -38.3 48.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.914 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.3 54.0 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 p -113.97 31.88 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.8 m-85 -132.02 158.51 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.61 137.1 39.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.24 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.81 119.83 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG12 ' H ' ' A' ' 48' ' ' ARG . 19.0 t -102.68 123.75 41.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.171 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.88 4.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.69 ' H ' HG12 ' A' ' 46' ' ' VAL . 46.1 mtp180 -101.36 -30.95 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.48 27.9 4.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.65 40.84 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.36 52.15 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -114.37 137.56 51.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.3 92.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -108.95 161.77 14.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -67.72 106.8 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.533 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -114.52 163.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -76.82 153.55 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' CYS . 4.2 tppp? -34.67 -65.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.8 tt0 -39.53 -73.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.0 m -42.77 -52.56 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 1.8 t-80 -47.74 -33.01 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -89.75 -36.27 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -64.86 -34.79 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' OD1' ' A' ' 30' ' ' ASN . 15.1 mt -80.33 -16.79 53.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -102.69 -17.94 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 23.3 mtm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -92.05 142.92 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -89.36 25.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.71 -39.87 0.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 13.7 p -123.89 -11.02 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.98 27.09 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.9 p -82.56 137.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -74.76 122.19 22.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.0 m-85 -64.94 102.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.2 p -123.02 173.62 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.3 mp -35.53 -51.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -68.02 -46.81 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -100.27 105.88 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -75.22 166.87 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.9 tt0 -104.93 129.24 53.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.3 m-85 -121.43 163.09 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.8 146.73 17.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.14 158.81 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' HG21 ' A' ' 46' ' ' VAL . 31.1 mmtm -100.25 -43.35 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.567 ' OD1' HD21 ' A' ' 64' ' ' LEU . 7.6 t30 -64.59 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.42 -36.01 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.89 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 86.5 mtt-85 -117.34 165.67 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.05 125.59 34.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.3 m-85 -132.69 162.29 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.7 p -96.5 141.23 30.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 3.6 t-20 -32.06 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.69 -48.44 67.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 89.7 m -79.75 -39.07 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.04 58.89 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 30.13 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 7.6 m-85 -129.22 160.61 32.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -138.55 138.83 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.74 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 53' ' ' GLN . 8.9 mt -57.17 117.69 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.4 t -103.55 122.35 45.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.643 0.735 . . . . 0.0 111.149 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.13 37.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.3 mtt-85 -75.72 -41.62 52.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -28.84 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.83 46.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 53.84 49.47 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLN . 16.5 p -119.17 132.29 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.509 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -61.89 77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 20.3 mm-40 -92.14 160.29 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -68.85 112.9 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.534 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -119.88 165.62 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -79.07 156.54 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.4 tptp -36.32 -66.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -40.02 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 55.6 m -41.87 -54.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -46.01 -34.41 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ARG . 17.7 m -87.1 -43.49 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -57.33 -41.55 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.5 mt -72.32 -20.63 61.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -101.61 -13.74 17.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' THR . 4.8 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 58.4 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' CB ' HG12 ' A' ' 17' ' ' VAL . 38.2 t -89.93 144.19 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.76 25.35 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.97 -41.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.5 p -122.46 -10.07 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.39 26.75 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 12' ' ' CYS . 9.3 p -80.43 146.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -83.15 130.57 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.7 m-85 -75.12 126.12 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LEU . 48.5 p -146.6 171.85 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.4 mp -35.22 -51.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.35 -50.06 36.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -95.67 81.86 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -56.88 172.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.7 tt0 -110.85 130.59 55.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.928 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.7 m-85 -116.18 161.7 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.554 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.92 145.63 16.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.469 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.51 166.26 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.02 -41.37 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.473 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.1 t30 -67.51 -74.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.0 p -70.27 -35.56 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.05 44.21 12.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.5 mtt-85 -117.41 166.89 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.87 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.2 m-85 -137.15 161.84 35.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.0 p -96.81 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.7 t30 -30.42 -37.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.91 -49.35 68.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 91.5 m -78.83 -37.7 39.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.928 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.78 57.77 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -118.14 33.63 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.1 m-85 -133.5 161.56 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -138.97 138.52 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.28 149.13 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 53' ' ' GLN . 14.0 mt -54.25 121.1 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.6 t -106.31 124.51 35.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.43 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.727 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtp-105 -108.96 -28.88 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 25.09 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 52' ' ' THR . . . 75.95 50.33 7.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 6.0 p-10 43.1 54.96 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 50' ' ' GLY . 63.5 p -127.07 145.04 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.4 tt0 -71.82 102.89 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -116.24 160.8 19.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -65.82 106.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -115.01 161.91 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.0 p -73.69 154.51 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' CYS . 3.9 tppp? -35.8 -65.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.3 -74.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.3 m -41.1 -55.85 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -44.97 -34.04 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 66' ' ' ARG . 19.9 m -88.18 -37.6 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.473 HD11 ' NE2' ' A' ' 59' ' ' GLN . 1.2 mt -62.84 -39.36 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD21 ' OD1' ' A' ' 30' ' ' ASN . 16.4 mt -75.03 -19.57 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.6 p -99.35 -21.16 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.8 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -89.83 147.77 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -93.53 27.68 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.05 -42.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -120.01 -10.99 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.47 26.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.4 141.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 139.78 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 35.7 m-85 -85.3 128.68 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -142.27 173.73 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.6 mp -41.67 -42.11 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.24 -41.77 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 99.49 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -68.67 160.24 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 8.8 tm-20 -104.87 133.3 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.5 m-85 -115.2 161.03 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.56 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.73 146.0 16.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -93.82 165.97 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.6 mmtt -108.98 -41.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.0 t30 -67.03 -74.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.97 -35.1 74.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.4 45.09 11.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 82.7 mtt180 -117.75 170.41 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 128.54 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.64 158.6 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLY . 21.3 p -93.83 141.47 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -31.38 -37.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.84 -49.93 64.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.0 m -78.23 -39.14 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -87.66 59.46 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 p -119.79 33.85 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.6 m-85 -133.77 159.56 40.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 137.99 40.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.32 148.03 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.2 mt -54.57 121.32 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.1 t -106.76 121.9 43.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.63 37.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.579 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.0 mtp180 -75.78 -38.52 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.28 -30.4 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.42 41.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.49 50.65 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -120.31 133.54 55.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.9 tt0 -63.48 81.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -98.16 158.16 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -65.34 110.57 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.51 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.46 162.52 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.89 154.62 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 21.0 tptp -35.73 -65.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.515 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.6 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.9 m -41.56 -55.59 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -46.29 -32.92 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' ARG . 39.9 m -87.05 -42.35 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -59.99 -40.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD21 ' OD1' ' A' ' 30' ' ' ASN . 59.2 mt -72.07 -20.34 61.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 p -102.02 -16.54 16.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' THR . 6.9 ptp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 13.2 mtp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.61 141.97 28.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.4 t80 -86.34 25.34 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.56 -41.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.5 p -123.9 -12.11 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.63 25.14 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.59 127.42 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -76.23 117.39 17.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -134.05 175.28 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -40.49 -46.99 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.98 -41.41 64.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -104.31 98.71 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -68.21 168.86 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 17.3 tt0 -109.9 132.09 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.5 m-85 -118.42 161.94 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.72 146.36 16.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -94.3 167.04 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.2 mmtt -109.54 -42.17 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.9 t30 -66.87 -74.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.21 -35.65 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.01 44.14 12.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 82.6 mtt-85 -117.36 168.16 10.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.15 128.99 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.6 m-85 -136.42 161.19 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.2 p -96.25 139.86 31.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -30.01 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -62.75 -49.48 72.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.1 m -79.16 -38.14 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.84 58.39 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -119.08 34.07 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 19.1 m-85 -133.66 158.18 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -135.77 138.17 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.33 149.57 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -53.61 122.1 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -107.33 122.85 39.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.25 35.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.538 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.6 mtp180 -73.72 -38.46 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.56 -26.52 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 51' ' ' ASN . . . 124.94 53.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 4.0 p-10 48.08 53.69 11.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.7 p -122.14 135.03 54.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.98 84.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -102.8 156.78 17.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -63.24 108.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.8 m -117.12 160.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -72.53 153.74 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 36.1 tptt -35.24 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.5 tt0 -39.37 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -41.01 -56.84 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.9 t-80 -44.35 -33.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' ARG . 20.9 m -87.87 -39.07 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.1 mt -62.45 -37.42 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -77.23 -15.92 59.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.967 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.9 p -104.9 -19.26 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' THR . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 18.6 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -89.74 143.65 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.493 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.59 25.91 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.54 -39.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -125.23 -13.39 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.42 25.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.701 HG21 ' HE3' ' A' ' 23' ' ' LYS . 9.2 p -81.43 122.89 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -62.03 128.4 35.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -71.88 122.76 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 p -139.53 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.187 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.6 mt -41.65 -43.73 2.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.53 -35.16 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.701 ' HE3' HG21 ' A' ' 17' ' ' VAL . 7.0 tppt? -108.26 94.25 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 165.77 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 42.3 tt0 -107.02 129.88 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.902 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.2 m-85 -117.97 161.74 19.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.589 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.09 146.4 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.38 165.65 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -108.77 -40.74 4.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.47 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.9 t30 -67.51 -72.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.3 -36.44 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.32 44.72 9.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.6 mtt-85 -117.77 166.63 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.8 126.85 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.4 m-85 -134.43 160.1 39.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -94.53 140.53 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.4 t30 -31.13 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.06 -49.14 69.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.1 m -78.99 -38.89 35.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -87.98 59.93 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -120.8 33.02 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.1 m-85 -132.35 161.0 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.93 141.36 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.69 145.48 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 51' ' ' ASN . 11.7 mt -52.08 121.37 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -103.64 123.28 41.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.576 0.703 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.701 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.1 mtp180 -102.6 -30.46 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.85 28.28 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 47.63 8.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.6 m-20 43.93 51.12 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -109.96 139.54 44.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.0 tt0 -66.62 89.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -106.92 158.12 17.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -65.65 108.79 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.495 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.9 m -116.14 161.39 14.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.5 p -72.62 154.75 40.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 34.6 tptt -36.01 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.6 tt0 -39.51 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.7 m -39.03 -56.16 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 6.3 t-80 -44.93 -35.64 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' GLN . 21.2 m -85.74 -36.98 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.0 mt -61.53 -51.36 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.4 mt -59.78 -49.39 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -65.64 -36.27 83.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 42.9 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 t -92.59 141.44 28.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.47 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -88.21 27.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.57 -41.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 18.5 p -124.8 -11.97 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.97 25.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -80.96 125.58 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.44 132.55 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -76.21 127.46 32.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 21' ' ' LEU . 62.4 p -147.08 170.65 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.5 mp -33.94 -53.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.52 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -97.33 81.84 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -57.6 171.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 56.3 tt0 -110.77 131.67 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -117.58 162.13 18.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.06 145.84 16.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.29 164.36 13.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.3 mmtt -107.35 -40.12 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.3 t30 -68.13 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.1 p -70.49 -35.11 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.99 44.28 12.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.8 mtt180 -117.25 168.48 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.88 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.18 161.5 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -96.07 140.73 30.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.1 t30 -31.22 -37.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.33 -48.83 70.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.9 m -79.26 -38.94 34.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.4 60.78 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -120.22 34.01 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.809 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -134.01 163.27 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.38 140.88 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.1 153.19 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.4 mt -57.44 122.38 12.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.0 t -108.74 121.51 42.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -17.97 37.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.28 . . . . 0.0 112.379 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.6 mtp180 -75.87 -37.33 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.94 -30.26 21.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.76 49.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 50.61 48.22 22.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 p -118.46 131.81 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.8 tt0 -63.84 89.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -106.09 160.89 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.03 109.24 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.2 m -116.95 162.01 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.08 154.01 39.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 40.8 tptt -35.0 -65.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.6 m -40.07 -54.54 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.2 t-80 -47.08 -35.07 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 38.7 m -85.76 -38.04 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.24 -50.59 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.3 mt -61.21 -41.75 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 p -74.18 -31.4 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.64 145.83 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.21 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.28 -42.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.587 ' SG ' HG12 ' A' ' 17' ' ' VAL . 27.0 p -123.06 -10.65 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.65 26.09 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.587 HG12 ' SG ' ' A' ' 15' ' ' CYS . 11.7 p -81.82 125.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -60.96 132.08 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 41.5 m-85 -77.11 123.15 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -142.59 169.51 17.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.0 mp -32.75 -52.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.41 -47.86 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -99.46 82.26 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -56.81 176.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 33.8 tt0 -113.12 128.14 56.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.9 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -115.17 161.64 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.43 147.06 17.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -93.97 167.95 11.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.8 mmtt -108.73 -45.3 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.517 ' OD1' HD21 ' A' ' 64' ' ' LEU . 13.9 t30 -64.79 -73.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -71.4 -35.98 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.96 13.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 84.7 mtt-85 -115.38 164.2 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.18 124.86 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.0 m-85 -133.91 158.96 42.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.7 p -94.81 140.43 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -29.58 -39.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.19 -50.18 65.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 98.2 m -77.93 -36.5 49.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -90.88 55.79 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -116.16 31.63 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -130.72 161.81 30.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.48 146.59 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -166.68 146.15 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.1 mt -54.25 118.6 4.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -102.24 121.37 50.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -12.94 33.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.665 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.9 mtm180 -81.8 -39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.88 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.76 42.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.26 47.6 16.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 p -116.32 139.93 49.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' N ' HD23 ' A' ' 45' ' ' LEU . 28.3 tt0 -71.27 79.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -95.43 159.8 14.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -66.4 110.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.5 m -118.81 163.02 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.2 p -74.62 159.0 32.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.28 -66.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.53 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 58.3 m -40.44 -55.12 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.6 t-80 -44.95 -36.44 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -85.37 -40.96 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -58.32 -45.14 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD21 ' OD1' ' A' ' 30' ' ' ASN . 12.4 mt -72.11 -10.24 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -114.68 -2.65 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -89.77 144.2 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -91.38 27.56 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.81 -40.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -123.74 -10.65 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.45 27.68 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' SG ' ' A' ' 15' ' ' CYS . 10.7 p -83.51 129.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -68.55 127.09 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.6 m-85 -69.68 107.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' LEU . 57.5 p -124.5 169.48 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.3 mp -34.97 -53.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -65.72 -42.17 91.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -104.35 102.72 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -72.68 160.5 32.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.9 tt0 -100.13 129.72 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.908 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.0 m-85 -117.42 162.11 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.512 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.86 145.59 16.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -93.6 167.23 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 46' ' ' VAL . 68.5 mmtt -110.4 -41.37 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.7 t30 -67.47 -74.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.9 -35.97 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.59 11.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 83.9 mtt180 -118.39 169.32 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.82 129.6 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.9 m-85 -137.11 160.58 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.82 140.91 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.6 t30 -30.89 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.08 -49.47 66.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.9 m -79.14 -37.37 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -90.1 56.37 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.7 p -115.21 32.13 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 12.0 m-85 -131.71 162.18 31.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.6 139.01 36.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.18 149.32 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 53' ' ' GLN . 10.1 mt -57.13 119.27 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 48' ' ' ARG . 20.9 t -104.18 122.44 44.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.15 36.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.554 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.1 mtt-85 -73.92 -42.35 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.31 -31.39 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.46 42.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 58.98 51.32 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLN . 17.9 p -120.87 133.22 55.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.496 ' N ' HD23 ' A' ' 45' ' ' LEU . 29.4 tt0 -62.51 78.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' THR . 17.6 mm-40 -94.6 158.22 15.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.92 112.43 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.8 m -120.27 160.84 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.24 156.15 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 11.0 tptm -36.36 -66.07 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.73 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.5 m -40.78 -54.64 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.2 t-80 -45.87 -35.73 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 m -85.76 -39.64 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -61.44 -37.33 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD21 ' OD1' ' A' ' 30' ' ' ASN . 11.7 mt -77.23 -14.33 59.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.0 p -108.26 -17.05 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' THR . 8.3 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -92.33 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -90.59 27.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.35 -41.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 p -125.14 -12.47 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.35 25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.8 p -80.36 121.55 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 4.9 ttpp -60.94 126.48 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.7 m-85 -69.6 132.97 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.524 ' OG1' ' CE2' ' A' ' 22' ' ' PHE . 41.4 p -145.71 176.95 9.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -44.68 -38.32 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE2' ' OG1' ' A' ' 20' ' ' THR . 0.1 OUTLIER -86.91 -38.37 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.6 67.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -46.39 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.1 tt0 -110.08 130.22 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.898 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.4 m-85 -114.85 160.94 18.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.33 146.23 16.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -93.67 166.88 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.6 mmtt -109.29 -42.36 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.483 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.2 t30 -66.41 -72.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -72.84 -36.51 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.61 44.89 10.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 79.3 mtt-85 -117.3 164.98 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.04 127.7 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.3 m-85 -136.21 159.68 41.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.29 140.61 29.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -30.43 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.56 -49.87 66.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.6 m -78.76 -37.25 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -90.15 55.86 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -116.74 32.6 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.7 m-85 -132.06 163.9 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -141.42 140.85 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.99 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.9 mt -54.13 120.62 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.9 t -103.64 124.76 36.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 3.66 2.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.721 ' H ' HG12 ' A' ' 46' ' ' VAL . 36.4 mtp180 -104.87 -30.72 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.99 34.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.14 48.56 38.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' O ' HD22 ' A' ' 45' ' ' LEU . 3.9 m120 43.27 53.03 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -111.64 141.69 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -70.36 84.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -101.46 160.24 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -66.32 110.73 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.485 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 25.5 m -118.53 160.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.8 p -72.65 155.83 39.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' CYS . 23.5 tptp -36.94 -66.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.04 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.7 m -40.94 -54.83 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.65 -33.95 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ARG . 40.2 m -86.03 -42.15 14.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -60.36 -42.04 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD21 ' OD1' ' A' ' 30' ' ' ASN . 24.1 mt -70.74 -19.75 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.0 p -102.03 -19.08 15.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.8 ptp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.99 149.12 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -92.58 25.53 3.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.71 -43.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -120.44 -12.14 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.34 26.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.511 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.5 p -79.97 142.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -78.62 130.92 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -78.77 122.18 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 74.7 p -140.82 -177.39 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -38.2 -62.6 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.7 -46.85 80.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -91.84 94.34 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -72.47 167.52 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.0 tt0 -103.52 129.27 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.934 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.9 m-85 -116.01 159.94 20.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.607 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.61 146.84 16.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.78 165.82 12.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.1 mmtt -107.64 -41.1 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.429 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.6 t30 -68.17 -73.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 p -72.28 -34.61 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.11 45.49 15.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 73.1 mtt-85 -117.03 168.6 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.92 127.38 35.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.5 m-85 -135.36 162.04 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.83 140.48 30.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -31.38 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.45 -48.2 71.01 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.7 m -79.28 -37.96 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.58 57.24 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.8 p -118.55 33.01 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.0 m-85 -132.01 160.64 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -136.71 140.76 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.92 152.67 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.3 124.06 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 48' ' ' ARG . 17.2 t -109.94 122.09 40.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.45 32.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.641 ' H ' HG12 ' A' ' 46' ' ' VAL . 41.8 mtp180 -80.77 -39.8 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.56 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.46 41.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.27 48.06 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 p -118.09 138.76 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -69.56 85.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -101.78 160.59 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.77 110.3 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.44 162.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -74.85 153.54 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' CYS . 10.5 tppt? -34.98 -65.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.34 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.8 m -41.48 -55.54 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.5 t-80 -46.63 -33.57 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.406 ' HA ' ' HG1' ' A' ' 65' ' ' THR . 22.6 m -87.56 -36.78 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.05 -42.05 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.429 HD21 ' OD1' ' A' ' 30' ' ' ASN . 22.2 mt -72.79 -16.97 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.406 ' HG1' ' HA ' ' A' ' 62' ' ' THR . 38.6 p -100.69 -24.42 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 9.3 mtp180 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.529 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.2 t -87.18 145.81 26.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -90.86 26.62 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.8 -41.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 9.8 p -121.91 -10.21 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.53 25.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.529 HG12 ' CB ' ' A' ' 12' ' ' CYS . 5.0 p -78.9 147.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 24.4 tttt -89.22 127.92 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 36.0 m-85 -72.93 132.52 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -142.15 -175.6 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -52.3 -43.26 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.09 -36.23 41.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -104.47 96.9 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -69.88 162.8 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 10.0 tm-20 -105.64 132.17 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.915 ' HB3' HD23 ' A' ' 40' ' ' LEU . 2.8 m-85 -113.95 161.47 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -126.79 146.88 16.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.82 160.48 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.625 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.6 mmtm -101.53 -44.24 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -64.06 -74.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -71.84 -34.36 69.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.61 45.51 17.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 88.9 mtt180 -115.9 166.96 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.56 124.98 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.6 m-85 -133.25 158.1 43.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' CYS . 17.5 p -93.75 147.85 22.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.2 -37.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.19 -38.38 95.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.9 m -88.76 -47.51 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -79.3 59.16 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 p -119.58 33.29 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 16.5 m-85 -133.8 158.64 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.78 137.19 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.94 149.05 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 120.21 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.5 t -103.73 122.29 45.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.175 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.4 3.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.724 ' H ' HG12 ' A' ' 46' ' ' VAL . 40.7 mtp180 -101.44 -35.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.8 22.22 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.55 50.24 4.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 41.96 52.93 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -114.62 137.96 51.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.44 89.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -106.75 160.49 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -67.06 105.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.0 m -112.28 167.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.8 p -80.01 154.64 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 13.4 tptm -35.45 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.7 tt0 -39.33 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.1 m -42.53 -53.86 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.69 -32.74 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 m -89.47 -38.38 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -62.98 -37.18 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.7 mt -76.93 -20.33 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 p -98.64 -21.78 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' CB ' HG12 ' A' ' 17' ' ' VAL . 30.3 t -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -92.06 27.36 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.61 -39.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.2 p -123.67 -10.31 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.86 27.05 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 12' ' ' CYS . 8.0 p -80.92 148.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -87.17 120.3 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 31.6 m-85 -64.64 113.46 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LYS . 50.2 p -134.88 172.74 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.543 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -37.17 -44.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.52 -38.69 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' THR . 17.6 tptt -107.29 97.72 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -68.47 164.48 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.74 133.62 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.922 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -123.09 162.24 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.87 146.7 16.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.22 166.55 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.7 mmtt -109.14 -41.45 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.435 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -67.64 -74.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -69.79 -35.39 74.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.97 44.3 12.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.4 mtt-85 -118.64 165.4 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.51 132.38 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.9 m-85 -139.51 159.45 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -94.37 147.38 23.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.51 -36.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.93 94.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.4 m -89.41 -46.74 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.15 59.64 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -120.72 35.41 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 19.7 m-85 -135.24 159.17 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.33 138.27 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.44 148.34 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.8 mt -54.94 121.12 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -107.08 121.93 43.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.94 37.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.5 mtp85 -76.01 -40.95 52.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.97 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.08 41.9 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.68 51.38 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.985 0.421 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 p -121.57 134.11 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 32.8 tt0 -63.37 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -98.16 157.04 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -65.16 108.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -116.15 165.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -77.29 155.32 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 9.0 tptm -36.2 -65.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.77 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.0 m -41.62 -53.45 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.8 t-80 -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' ARG . 85.7 m -86.61 -42.69 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -58.84 -41.08 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 30' ' ' ASN . 26.3 mt -73.33 -17.02 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -105.21 -15.78 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.5 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 35.6 mtm-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.5 t -93.45 145.02 24.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -91.54 28.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -125.28 -11.51 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.69 25.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG21 ' HE2' ' A' ' 23' ' ' LYS . 8.5 p -82.25 131.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 126.18 28.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.9 m-85 -69.39 115.23 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' LEU . 31.1 p -137.03 172.38 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -33.82 -53.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -68.59 -50.64 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.65 84.28 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -58.34 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 22.1 tt0 -111.79 130.35 55.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.953 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.4 m-85 -120.07 162.67 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.579 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.46 146.02 16.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -93.44 165.69 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.4 mmtt -109.21 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.3 t30 -68.96 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.2 p -70.13 -35.64 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.13 44.25 9.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 83.6 mtt180 -118.22 167.77 11.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 128.71 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.3 m-85 -135.56 157.92 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.2 p -92.23 147.91 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -39.23 -36.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.42 93.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.3 m -89.34 -47.34 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.953 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -79.56 59.29 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.4 p -119.22 34.65 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.8 m-85 -134.48 160.59 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 137.21 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.9 149.81 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.74 122.2 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -108.9 122.11 40.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.19 34.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.524 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.9 mtp180 -73.39 -37.35 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.16 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 54.8 47.99 21.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -118.92 134.98 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.87 87.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -104.14 158.36 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.46 107.97 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.8 m -115.79 163.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -75.95 154.18 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' CYS . 5.0 tppp? -35.14 -65.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.3 tt0 -39.6 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.0 m -41.65 -54.96 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.0 t-80 -46.93 -33.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -88.17 -35.0 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -66.53 -39.26 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -76.45 -13.07 60.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -105.45 -22.9 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 38.2 mtt180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 t -92.7 142.21 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 4.1 t80 -87.01 26.22 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.36 -38.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.3 p -127.87 -7.21 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 67.12 27.1 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.74 131.16 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -64.99 134.7 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 m-85 -78.99 121.84 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LEU . 38.5 p -145.99 170.68 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.2 mt -35.2 -45.76 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.48 -50.27 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -101.36 79.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.6 164.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 21.0 tt0 -106.27 125.81 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.848 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.7 m-85 -116.23 162.14 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.586 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.08 146.76 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.87 166.78 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.5 mmtt -111.58 -38.43 4.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.497 ' OD1' HD21 ' A' ' 64' ' ' LEU . 8.7 t30 -69.11 -72.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -71.29 -37.32 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.6 43.52 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 80.5 mtt180 -118.08 168.6 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.57 127.89 35.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.2 m-85 -136.37 155.19 50.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' GLY . 23.0 p -88.61 140.37 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -31.26 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.67 -48.95 62.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.1 m -79.12 -32.65 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -94.86 57.85 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -117.06 34.07 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.588 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.9 m-85 -132.18 159.71 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -136.62 143.91 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.96 152.67 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 53' ' ' GLN . 13.6 mt -58.18 124.38 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.6 t -110.83 122.2 38.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.676 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.1 mtp180 -83.02 -38.71 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.0 -33.53 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.22 40.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.05 48.53 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 p -118.89 135.54 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 tt0 -67.53 78.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -92.57 162.02 14.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -67.33 108.94 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -115.0 161.74 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.597 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.16 157.07 36.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 22.5 tptp -37.58 -65.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -40.08 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -39.36 -55.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.3 t-80 -45.24 -36.18 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.427 HG22 ' CD ' ' A' ' 66' ' ' ARG . 21.8 m -84.46 -40.01 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.3 mt -60.0 -51.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.0 mt -60.87 -47.4 86.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -68.86 -30.55 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' CD ' HG22 ' A' ' 62' ' ' THR . 14.9 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -92.55 144.5 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.68 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.7 -40.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.2 p -125.0 -12.06 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.98 25.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -79.74 121.29 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -63.55 128.81 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 22.8 m-85 -72.22 137.69 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 p -147.41 -176.18 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -50.46 -42.59 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -84.08 -32.04 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 17' ' ' VAL . 3.1 tppt? -103.56 87.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -64.51 160.91 18.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 59.4 tt0 -103.23 136.37 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.91 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.0 m-85 -120.27 161.36 21.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.561 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.83 146.59 16.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -96.78 159.66 14.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.9 mmtm -101.05 -42.94 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.6 t30 -64.37 -74.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 p -72.05 -35.65 69.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.09 46.31 10.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.6 mtt180 -117.39 167.56 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.868 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.26 124.19 33.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 76.9 m-85 -132.53 160.7 35.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -95.67 140.53 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -30.81 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.53 -49.11 72.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.9 m -79.34 -38.66 34.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.94 58.3 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -119.65 33.47 5.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.6 m-85 -132.26 162.6 30.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 140.3 41.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.1 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -53.45 122.66 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 48' ' ' ARG . 32.8 t -110.82 121.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -16.12 37.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 46' ' ' VAL . 25.2 mtp85 -77.97 -39.96 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.78 -29.1 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.46 44.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.08 49.41 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . 13.6 p -120.23 134.0 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.51 76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' THR . 25.6 mm-40 -93.86 160.62 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.22 113.6 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 m -120.72 164.25 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.4 p -75.91 156.29 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' CYS . 48.2 tptt -35.99 -66.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.2 tt0 -39.99 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.2 m -40.42 -55.15 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.1 t-80 -45.16 -36.46 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ARG . 21.2 m -84.33 -43.86 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -57.11 -43.56 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.7 mt -73.5 -7.76 53.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.2 p -119.26 -3.12 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 29.5 mtm-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 t -93.47 141.11 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -87.6 28.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.61 -41.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 p -125.05 -8.35 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 68.3 28.25 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.6 p -83.08 124.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -61.91 131.02 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.46 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 33.2 m-85 -75.84 111.88 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LEU . 40.3 p -130.89 168.81 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.7 mp -32.55 -51.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -68.18 -45.06 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.3 tppt? -102.2 100.87 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 167.32 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -107.15 128.67 54.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.895 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.6 m-85 -117.29 161.87 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.24 146.12 16.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.9 164.07 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -107.34 -40.75 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.591 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.5 t30 -67.35 -74.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -70.56 -35.99 73.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 43.96 10.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.3 mtt180 -117.52 165.17 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.36 128.18 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.8 m-85 -135.48 160.32 38.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 38' ' ' GLY . 16.8 p -94.86 140.56 29.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 2.9 t30 -31.22 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.87 -48.93 71.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.8 m -79.61 -38.59 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.895 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.36 55.8 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -115.5 29.54 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 14.4 m-85 -127.64 163.63 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.94 149.27 47.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.04 146.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 53' ' ' GLN . 15.1 mt -57.11 123.73 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -105.14 124.74 35.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.71 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.3 mtt85 -104.98 -30.06 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.05 31.43 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.16 43.19 33.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 45' ' ' LEU . 5.5 m120 46.54 52.75 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 p -111.99 139.01 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.614 ' N ' HD23 ' A' ' 45' ' ' LEU . 16.8 tt0 -65.92 81.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -99.11 161.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.44 113.87 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.514 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -120.56 159.77 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -72.66 154.68 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.4 tptm -36.15 -65.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.492 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.52 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.1 m -40.25 -55.88 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.8 t-80 -44.45 -33.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -88.21 -38.07 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 mt -60.93 -49.08 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.1 mt -63.12 -46.11 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -69.4 -32.04 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t -88.04 144.04 26.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -90.86 28.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.91 -41.87 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.6 p -124.08 -10.63 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.07 25.17 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.3 127.69 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.52 135.11 55.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.0 m-85 -80.66 129.43 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 p -150.21 176.29 10.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.9 mt -38.71 -44.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -78.13 -53.23 7.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' HG11 ' A' ' 17' ' ' VAL . 19.1 tptt -92.48 80.36 4.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.27 174.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 32.8 tt0 -115.0 131.08 57.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.906 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.8 m-85 -118.16 161.8 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.569 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.25 146.45 16.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -94.35 166.59 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -109.94 -41.27 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -66.96 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.57 -37.1 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.81 44.39 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.1 mtt180 -118.12 166.29 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.28 129.79 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.7 m-85 -137.89 156.52 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -92.0 146.26 23.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.2 p30 -37.42 -35.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -39.14 94.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.9 m -88.72 -43.13 11.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.906 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -83.74 58.15 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -118.45 34.33 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 9.7 m-85 -133.85 162.02 33.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.11 143.59 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.783 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.19 148.65 8.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.9 mt -55.17 123.1 12.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.2 t -107.57 126.62 29.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 5.35 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.7 ' H ' HG12 ' A' ' 46' ' ' VAL . 26.2 mtp180 -110.71 -30.26 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.95 29.75 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 52' ' ' THR . . . 71.02 50.16 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 5.8 p-10 44.29 54.99 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' GLY . 75.9 p -125.06 145.5 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' N ' HD23 ' A' ' 45' ' ' LEU . 34.9 tt0 -72.39 96.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -110.09 162.56 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.96 111.75 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 30.6 m -119.81 159.36 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -71.69 154.1 41.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' CYS . 26.9 tptt -35.51 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.25 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.2 m -41.01 -55.02 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 5.5 t-80 -45.84 -35.12 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -87.35 -36.19 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.71 -47.68 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -64.24 -46.94 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -68.25 -34.68 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -115.01 42.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.356 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -159.88 151.13 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.13 41.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -132.26 93.24 3.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -91.96 145.39 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.29 76.25 0.38 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.78 104.47 16.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 45.0 mt-10 -100.64 -174.02 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 m -58.53 102.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 25.9 mtt180 -120.0 -175.92 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.7 143.0 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -90.25 26.09 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 -40.29 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -122.88 -10.61 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.45 26.92 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.38 140.0 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 8.0 ttpp -78.82 132.64 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.7 m-85 -76.81 121.55 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.473 ' CG2' ' HE3' ' A' ' 18' ' ' LYS . 39.6 p -140.96 175.48 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.57 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -40.05 -42.83 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.81 -42.35 34.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -104.58 95.69 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.39 162.45 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 19.9 tt0 -102.71 133.15 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.951 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -120.62 161.55 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.54 145.24 15.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.88 167.16 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.31 -42.4 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.1 t30 -67.21 -74.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -70.24 -33.03 71.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.41 23.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 84.9 mtt180 -116.17 170.12 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.76 129.01 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.67 163.58 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.9 p -98.65 141.26 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -31.58 -36.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.57 -48.89 68.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' CYS . 86.0 m -79.31 -40.78 29.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -85.46 58.76 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -120.11 32.55 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.2 m-85 -131.45 157.25 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -133.46 137.1 45.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.52 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD23 ' CA ' ' A' ' 53' ' ' GLN . 6.7 mt -56.16 120.18 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 48' ' ' ARG . 23.9 t -104.38 123.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.12 4.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.728 ' H ' HG12 ' A' ' 46' ' ' VAL . 44.7 mtp180 -99.78 -33.77 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.18 26.27 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.89 23.86 54.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.25 50.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -115.02 141.52 47.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' CA ' HD23 ' A' ' 45' ' ' LEU . 10.1 tt0 -65.09 85.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -101.26 157.98 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -65.35 109.73 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.509 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 34.4 m -117.07 164.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -76.35 153.57 35.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.5 tptm -34.78 -65.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.54 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.4 m -41.76 -55.0 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -45.65 -33.72 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.4 m -87.98 -40.56 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -60.52 -38.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.405 HD21 ' OD1' ' A' ' 30' ' ' ASN . 27.3 mt -75.62 -19.68 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.8 p -101.01 -18.59 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' THR . 20.2 ptt180 -81.61 -37.24 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.57 79.12 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.9 p -42.9 155.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 m -127.85 43.53 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -134.67 177.0 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -130.53 43.64 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.19 91.32 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.9 p -175.03 173.27 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' TRP . 3.7 mptt -46.98 173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.6 t90 -35.55 120.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.8 p -104.44 148.05 35.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.98 25.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.8 Cg_endo -69.72 130.84 20.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.477 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 16.8 pt20 -34.4 -40.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -95.72 97.2 9.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -100.2 -61.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.9 144.2 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.7 m -46.32 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.86 -172.06 44.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 86' ' ' SER . 54.3 Cg_endo -69.71 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 85' ' ' PRO . 74.1 m -32.09 116.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -84.79 174.73 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' HA2' ' CB ' ' A' ' 79' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -124.61 131.73 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -98.04 -12.8 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.08 96.42 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -105.93 158.59 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -75.19 109.07 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.46 55.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 mmt -129.91 40.67 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.69 170.58 7.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 p -38.91 113.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.1 mtm180 -113.15 -175.52 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -92.16 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 2.7 t80 -90.35 27.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.43 -43.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' HG12 ' A' ' 17' ' ' VAL . 24.0 p -121.41 -9.92 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.4 27.71 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 15' ' ' CYS . 9.9 p -84.59 136.92 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -71.69 124.63 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.2 m-85 -66.72 107.07 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -126.44 171.82 10.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -34.61 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -65.82 -42.96 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.19 81.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -58.05 173.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -108.59 130.97 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.931 ' HB3' HD23 ' A' ' 40' ' ' LEU . 9.9 m-85 -120.08 162.57 19.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.07 143.54 14.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -91.15 165.56 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.2 mmtt -107.33 -42.5 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.0 t30 -67.23 -74.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -69.91 -34.68 73.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.93 16.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 87.1 mtt180 -116.76 168.98 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.0 m-85 -137.47 160.53 38.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.53 141.52 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.2 t-20 -31.84 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.18 -48.45 69.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 84.2 m -79.11 -39.91 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.07 53.58 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.0 p -114.22 30.19 7.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.3 m-85 -128.86 162.89 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.55 147.5 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -169.27 153.13 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.97 120.76 10.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 48' ' ' ARG . 35.9 t -102.14 124.84 38.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.49 2.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.736 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.5 mtp180 -103.69 -33.53 8.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.97 33.55 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.84 37.91 65.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 55.21 54.44 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -112.35 134.73 53.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -63.35 79.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -98.36 162.08 13.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -66.54 114.33 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.519 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.4 m -121.9 162.09 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -75.82 153.99 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 19.8 tptp -34.56 -65.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.62 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.9 m -42.35 -53.51 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -48.03 -33.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -88.75 -35.64 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.86 -37.28 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.8 mt -77.54 -15.44 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 p -103.32 -21.95 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -76.43 -30.82 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.98 -111.59 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.8 p -165.51 153.48 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.7 m -107.08 143.26 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -48.52 149.63 1.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.09 81.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.5 87.31 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m -165.16 173.53 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -96.6 98.6 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -138.07 116.16 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -96.51 142.64 24.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.82 65.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.226 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.12 3.92 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -42.07 -50.95 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -161.24 134.98 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -149.72 121.48 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -88.26 114.21 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.5 p -155.07 175.31 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.7 143.97 22.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 145.46 57.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 t -133.6 123.69 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.815 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -51.19 163.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.481 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -123.54 96.44 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -58.57 175.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.66 154.78 45.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -68.75 -56.06 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -136.23 154.73 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.49 -113.8 3.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.14 140.7 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.4 -61.42 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m -104.56 106.16 16.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 24.9 mtm180 -118.12 -176.15 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.3 t -91.81 142.52 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -89.04 26.03 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.84 -39.82 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 17' ' ' VAL . 22.7 p -126.24 -9.79 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 70.46 27.82 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 12.3 p -84.34 127.31 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -63.53 134.6 55.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 38.7 m-85 -77.98 126.68 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 70.5 p -143.81 174.77 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.6 mp -38.01 -54.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.82 -46.86 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -97.79 81.23 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.66 172.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -110.8 129.64 55.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.914 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.3 m-85 -116.2 162.15 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.08 144.86 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.97 166.24 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.5 mmtt -108.83 -41.91 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.4 t30 -67.13 -74.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.7 p -70.35 -33.84 71.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.84 44.64 19.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.9 mtt180 -116.1 171.58 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.97 128.33 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.6 m-85 -137.05 160.22 39.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.2 p -95.71 141.45 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -31.15 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.49 -50.59 58.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.8 m -77.58 -38.3 48.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.914 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.3 54.0 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 p -113.97 31.88 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.8 m-85 -132.02 158.51 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.61 137.1 39.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.24 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.81 119.83 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG12 ' H ' ' A' ' 48' ' ' ARG . 19.0 t -102.68 123.75 41.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.171 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.88 4.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.69 ' H ' HG12 ' A' ' 46' ' ' VAL . 46.1 mtp180 -101.36 -30.95 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.48 27.9 4.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.65 40.84 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.36 52.15 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -114.37 137.56 51.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.3 92.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -108.95 161.77 14.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -67.72 106.8 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.533 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -114.52 163.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -76.82 153.55 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' CYS . 4.2 tppp? -34.67 -65.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.8 tt0 -39.53 -73.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.0 m -42.77 -52.56 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 1.8 t-80 -47.74 -33.01 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -89.75 -36.27 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -64.86 -34.79 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' OD1' ' A' ' 30' ' ' ASN . 15.1 mt -80.33 -16.79 53.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -102.69 -17.94 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -80.19 -31.78 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' SER . . . -110.31 -104.75 2.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 45.6 m 34.58 41.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.818 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -102.25 105.56 16.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -48.8 125.36 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -162.0 165.76 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.61 167.01 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t -85.68 71.37 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.52 133.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -167.15 123.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -123.29 140.12 33.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' GLN . 53.3 Cg_endo -69.75 155.85 64.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 16.32 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.9 mt-30 68.08 43.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -123.76 -44.15 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -75.57 160.12 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -99.51 112.4 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -58.41 167.13 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.99 89.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.2 3.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.1 p -122.98 100.45 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -126.01 113.09 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.444 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -72.09 -50.6 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -153.09 134.66 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.04 150.05 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -63.96 130.83 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -40.28 -60.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.58 -162.17 17.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.48 109.79 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.14 -54.85 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -110.78 104.1 12.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 23.3 mtm180 -118.23 -176.14 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -92.05 142.92 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -89.36 25.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.71 -39.87 0.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 13.7 p -123.89 -11.02 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.98 27.09 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.9 p -82.56 137.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -74.76 122.19 22.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.0 m-85 -64.94 102.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.2 p -123.02 173.62 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.3 mp -35.53 -51.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -68.02 -46.81 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -100.27 105.88 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -75.22 166.87 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.9 tt0 -104.93 129.24 53.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.3 m-85 -121.43 163.09 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.8 146.73 17.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.14 158.81 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' HG21 ' A' ' 46' ' ' VAL . 31.1 mmtm -100.25 -43.35 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.567 ' OD1' HD21 ' A' ' 64' ' ' LEU . 7.6 t30 -64.59 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.42 -36.01 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.89 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 86.5 mtt-85 -117.34 165.67 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.05 125.59 34.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.3 m-85 -132.69 162.29 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.7 p -96.5 141.23 30.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 3.6 t-20 -32.06 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.69 -48.44 67.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 89.7 m -79.75 -39.07 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.04 58.89 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 30.13 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 7.6 m-85 -129.22 160.61 32.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -138.55 138.83 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.74 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 53' ' ' GLN . 8.9 mt -57.17 117.69 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.4 t -103.55 122.35 45.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.643 0.735 . . . . 0.0 111.149 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.13 37.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.3 mtt-85 -75.72 -41.62 52.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -28.84 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.83 46.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 53.84 49.47 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLN . 16.5 p -119.17 132.29 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.509 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -61.89 77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 20.3 mm-40 -92.14 160.29 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -68.85 112.9 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.534 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -119.88 165.62 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -79.07 156.54 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.4 tptp -36.32 -66.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -40.02 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 55.6 m -41.87 -54.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -46.01 -34.41 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ARG . 17.7 m -87.1 -43.49 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -57.33 -41.55 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.5 mt -72.32 -20.63 61.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -101.61 -13.74 17.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.8 ptm180 -93.02 3.14 56.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 66' ' ' ARG . . . -31.78 101.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -75.91 -32.13 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -62.48 101.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -119.12 -45.55 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -68.25 156.64 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 54.06 41.39 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -111.36 -54.5 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.48 100.8 9.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 60.2 t90 -162.55 148.67 12.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.8 p -134.25 142.51 43.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.492 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.6 Cg_endo -69.78 153.29 69.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.23 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.83 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -71.3 -52.8 16.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -96.11 91.23 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -94.94 -48.85 5.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -107.94 -25.86 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.7 t 35.03 41.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.76 155.81 27.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.78 114.39 3.69 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.3 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' PRO . 3.4 t 34.48 42.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.0 m -116.63 134.67 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.543 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -97.38 90.11 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 91.37 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.14 178.67 50.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -62.26 100.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.376 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -91.27 86.19 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.55 45.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 mtt -92.45 96.26 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.687 0.28 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.18 -178.28 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 67.3 m -57.5 104.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 58.4 mtt180 -110.79 -175.72 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' CB ' HG12 ' A' ' 17' ' ' VAL . 38.2 t -89.93 144.19 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.76 25.35 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.97 -41.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.5 p -122.46 -10.07 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.39 26.75 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 12' ' ' CYS . 9.3 p -80.43 146.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -83.15 130.57 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.7 m-85 -75.12 126.12 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LEU . 48.5 p -146.6 171.85 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.4 mp -35.22 -51.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.35 -50.06 36.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -95.67 81.86 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -56.88 172.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.7 tt0 -110.85 130.59 55.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.928 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.7 m-85 -116.18 161.7 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.554 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.92 145.63 16.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.469 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.51 166.26 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.02 -41.37 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.473 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.1 t30 -67.51 -74.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.0 p -70.27 -35.56 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.05 44.21 12.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.5 mtt-85 -117.41 166.89 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.87 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.2 m-85 -137.15 161.84 35.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.0 p -96.81 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.7 t30 -30.42 -37.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.91 -49.35 68.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 91.5 m -78.83 -37.7 39.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.928 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.78 57.77 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -118.14 33.63 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.1 m-85 -133.5 161.56 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -138.97 138.52 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.28 149.13 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 53' ' ' GLN . 14.0 mt -54.25 121.1 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.6 t -106.31 124.51 35.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.43 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.727 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtp-105 -108.96 -28.88 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 25.09 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 52' ' ' THR . . . 75.95 50.33 7.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 6.0 p-10 43.1 54.96 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 50' ' ' GLY . 63.5 p -127.07 145.04 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.4 tt0 -71.82 102.89 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -116.24 160.8 19.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -65.82 106.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -115.01 161.91 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.0 p -73.69 154.51 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' CYS . 3.9 tppp? -35.8 -65.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.3 -74.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.3 m -41.1 -55.85 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -44.97 -34.04 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 66' ' ' ARG . 19.9 m -88.18 -37.6 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.473 HD11 ' NE2' ' A' ' 59' ' ' GLN . 1.2 mt -62.84 -39.36 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD21 ' OD1' ' A' ' 30' ' ' ASN . 16.4 mt -75.03 -19.57 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.6 p -99.35 -21.16 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.8 ptt85 -76.51 -30.95 57.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.02 -105.46 2.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.93 161.35 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m -105.61 152.25 23.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.62 178.56 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -64.04 154.17 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.06 171.37 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -72.19 84.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 75' ' ' TRP . 11.7 tmtt? -97.49 149.26 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 79.4 t90 -33.92 116.04 0.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -92.54 134.79 27.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.714 0.769 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 54.0 Cg_endo -69.72 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 79' ' ' GLN . 53.5 Cg_endo -69.82 -165.4 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -44.39 170.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 79' ' ' GLN . 95.1 m-20 -30.66 -43.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 20.5 t80 38.61 30.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 80' ' ' ASN . 3.0 mtpm? -151.82 178.07 9.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -91.19 -41.76 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.94 83.64 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.48 41.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.9 p -162.33 143.8 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 t -150.72 164.31 36.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -103.26 143.6 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -91.41 135.39 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 -113.74 6.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -55.24 157.1 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -140.72 167.47 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.05 118.62 2.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 tpp -68.82 93.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.4 mm-40 -82.31 -173.96 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.7 m -58.72 109.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 39.8 mtt180 -124.91 -177.42 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -89.83 147.77 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -93.53 27.68 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.05 -42.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -120.01 -10.99 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.47 26.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.4 141.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 139.78 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 35.7 m-85 -85.3 128.68 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -142.27 173.73 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.6 mp -41.67 -42.11 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.24 -41.77 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 99.49 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -68.67 160.24 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 8.8 tm-20 -104.87 133.3 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.5 m-85 -115.2 161.03 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.56 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.73 146.0 16.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -93.82 165.97 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.6 mmtt -108.98 -41.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.0 t30 -67.03 -74.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.97 -35.1 74.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.4 45.09 11.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 82.7 mtt180 -117.75 170.41 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 128.54 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.64 158.6 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLY . 21.3 p -93.83 141.47 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -31.38 -37.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.84 -49.93 64.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.0 m -78.23 -39.14 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -87.66 59.46 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 p -119.79 33.85 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.6 m-85 -133.77 159.56 40.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 137.99 40.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.32 148.03 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.2 mt -54.57 121.32 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.1 t -106.76 121.9 43.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.63 37.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.0 mtp180 -75.78 -38.52 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.28 -30.4 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.42 41.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.49 50.65 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -120.31 133.54 55.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.9 tt0 -63.48 81.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -98.16 158.16 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -65.34 110.57 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.51 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.46 162.52 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.89 154.62 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 21.0 tptp -35.73 -65.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.6 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.9 m -41.56 -55.59 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -46.29 -32.92 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' ARG . 39.9 m -87.05 -42.35 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -59.99 -40.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD21 ' OD1' ' A' ' 30' ' ' ASN . 59.2 mt -72.07 -20.34 61.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 p -102.02 -16.54 16.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' THR . 6.9 ptp180 -83.45 -38.85 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.6 64.58 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -101.97 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -45.03 120.49 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -154.88 167.58 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.76 132.08 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 132.01 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -154.12 143.72 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -70.11 123.86 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -138.0 119.62 15.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.2 p -106.16 154.2 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 135.29 30.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.74 2.293 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' ASN . 8.8 mt-30 -76.47 -42.97 41.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' GLN . 2.8 t-20 -34.57 -56.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 80' ' ' ASN . 11.2 t80 -35.36 146.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -57.88 133.32 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -172.87 172.78 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.39 -160.24 30.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.86 3.4 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t 71.25 42.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.8 p -94.52 146.5 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.54 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -97.02 122.24 39.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -83.35 118.33 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.07 82.94 0.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -144.89 169.7 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.51 154.32 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.96 145.26 9.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.61 89.05 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.91 -176.35 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -59.12 104.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 13.2 mtp180 -120.63 -178.76 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.61 141.97 28.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.4 t80 -86.34 25.34 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.56 -41.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.5 p -123.9 -12.11 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.63 25.14 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.59 127.42 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -76.23 117.39 17.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -134.05 175.28 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -40.49 -46.99 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.98 -41.41 64.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -104.31 98.71 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -68.21 168.86 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 17.3 tt0 -109.9 132.09 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.5 m-85 -118.42 161.94 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.72 146.36 16.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -94.3 167.04 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.2 mmtt -109.54 -42.17 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.9 t30 -66.87 -74.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.21 -35.65 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.01 44.14 12.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 82.6 mtt-85 -117.36 168.16 10.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.15 128.99 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.6 m-85 -136.42 161.19 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.2 p -96.25 139.86 31.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -30.01 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -62.75 -49.48 72.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.1 m -79.16 -38.14 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.84 58.39 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -119.08 34.07 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 19.1 m-85 -133.66 158.18 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -135.77 138.17 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.33 149.57 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -53.61 122.1 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -107.33 122.85 39.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.25 35.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.538 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.6 mtp180 -73.72 -38.46 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.56 -26.52 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 51' ' ' ASN . . . 124.94 53.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 4.0 p-10 48.08 53.69 11.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.7 p -122.14 135.03 54.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.98 84.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -102.8 156.78 17.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -63.24 108.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.8 m -117.12 160.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -72.53 153.74 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 36.1 tptt -35.24 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.5 tt0 -39.37 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -41.01 -56.84 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.9 t-80 -44.35 -33.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' ARG . 20.9 m -87.87 -39.07 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.1 mt -62.45 -37.42 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -77.23 -15.92 59.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.967 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.9 p -104.9 -19.26 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' THR . 2.7 ptm180 -76.94 -31.99 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.47 -99.95 2.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 m -173.99 151.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ASP . 13.4 t -57.27 143.93 37.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 5.2 t70 -34.94 103.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -45.89 104.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.39 -42.64 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -51.57 139.73 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -104.2 117.48 34.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -128.21 136.6 51.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -133.58 151.82 77.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 165.95 29.23 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.38 53.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.22 -23.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -127.18 87.07 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -101.04 40.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 1.3 tmmm? -151.61 125.64 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.1 p -169.87 133.02 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.26 -139.21 10.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.01 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 p -67.83 -53.01 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -86.77 85.91 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.461 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -99.92 106.28 18.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.7 m -147.79 112.47 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.25 46.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -48.25 -45.6 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -130.63 144.76 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.64 -153.38 28.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 8' ' ' MET . 6.2 ptm -88.75 83.64 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -95.05 -61.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -115.52 101.42 8.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 18.6 mtt180 -121.32 -179.07 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -89.74 143.65 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.493 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.59 25.91 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.54 -39.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -125.23 -13.39 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.42 25.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.701 HG21 ' HE3' ' A' ' 23' ' ' LYS . 9.2 p -81.43 122.89 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -62.03 128.4 35.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -71.88 122.76 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 p -139.53 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.187 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.6 mt -41.65 -43.73 2.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.53 -35.16 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.701 ' HE3' HG21 ' A' ' 17' ' ' VAL . 7.0 tppt? -108.26 94.25 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 165.77 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 42.3 tt0 -107.02 129.88 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.902 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.2 m-85 -117.97 161.74 19.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.589 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.09 146.4 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.38 165.65 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -108.77 -40.74 4.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.47 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.9 t30 -67.51 -72.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.3 -36.44 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.32 44.72 9.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.6 mtt-85 -117.77 166.63 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.8 126.85 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.4 m-85 -134.43 160.1 39.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -94.53 140.53 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.4 t30 -31.13 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.06 -49.14 69.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.1 m -78.99 -38.89 35.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -87.98 59.93 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -120.8 33.02 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.1 m-85 -132.35 161.0 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.93 141.36 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.69 145.48 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 51' ' ' ASN . 11.7 mt -52.08 121.37 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -103.64 123.28 41.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.576 0.703 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.701 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.1 mtp180 -102.6 -30.46 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.85 28.28 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 47.63 8.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.6 m-20 43.93 51.12 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -109.96 139.54 44.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.0 tt0 -66.62 89.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -106.92 158.12 17.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -65.65 108.79 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.495 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.9 m -116.14 161.39 14.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.5 p -72.62 154.75 40.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 34.6 tptt -36.01 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.6 tt0 -39.51 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.7 m -39.03 -56.16 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 6.3 t-80 -44.93 -35.64 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' GLN . 21.2 m -85.74 -36.98 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.0 mt -61.53 -51.36 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.4 mt -59.78 -49.39 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -65.64 -36.27 83.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -60.89 -62.15 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.32 116.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.9 p -150.2 150.0 30.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -48.65 126.49 11.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -118.93 152.05 37.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -57.91 153.87 13.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 169.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -125.7 168.71 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -84.92 140.86 30.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -86.43 135.72 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -140.65 150.27 59.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.42 68.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.91 67.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -64.93 160.46 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 56.39 49.74 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -90.24 172.69 8.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -81.82 -56.39 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -101.13 109.04 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.17 -173.56 44.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 157.0 61.94 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.406 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.0 t -98.47 118.85 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.7 p -117.09 172.94 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -43.12 -48.53 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -127.86 171.07 12.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.7 50.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -132.0 158.92 40.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -53.09 168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.46 -46.53 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt 39.99 37.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.735 0.302 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -85.21 -176.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 p -57.71 109.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 42.9 mtt180 -117.99 -175.43 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 t -92.59 141.44 28.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.47 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -88.21 27.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.57 -41.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 18.5 p -124.8 -11.97 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.97 25.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -80.96 125.58 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.44 132.55 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -76.21 127.46 32.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 21' ' ' LEU . 62.4 p -147.08 170.65 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.5 mp -33.94 -53.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.52 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -97.33 81.84 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -57.6 171.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 56.3 tt0 -110.77 131.67 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -117.58 162.13 18.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.06 145.84 16.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.29 164.36 13.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.3 mmtt -107.35 -40.12 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.3 t30 -68.13 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.1 p -70.49 -35.11 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.99 44.28 12.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.8 mtt180 -117.25 168.48 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.88 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.18 161.5 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -96.07 140.73 30.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.1 t30 -31.22 -37.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.33 -48.83 70.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.9 m -79.26 -38.94 34.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.4 60.78 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -120.22 34.01 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.809 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -134.01 163.27 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.38 140.88 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.1 153.19 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.4 mt -57.44 122.38 12.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.0 t -108.74 121.51 42.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -17.97 37.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.28 . . . . 0.0 112.379 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.6 mtp180 -75.87 -37.33 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.94 -30.26 21.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.76 49.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 50.61 48.22 22.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 p -118.46 131.81 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.8 tt0 -63.84 89.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -106.09 160.89 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.03 109.24 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.2 m -116.95 162.01 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.08 154.01 39.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 40.8 tptt -35.0 -65.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.6 m -40.07 -54.54 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.2 t-80 -47.08 -35.07 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 38.7 m -85.76 -38.04 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.24 -50.59 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.3 mt -61.21 -41.75 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 p -74.18 -31.4 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -69.43 -64.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.33 61.06 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.8 m -128.52 40.33 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -80.73 -56.11 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.78 116.08 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -78.61 97.9 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.21 130.17 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -74.25 133.43 42.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.79 152.04 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.605 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 1.6 p-90 -135.97 146.94 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.7 p -107.95 111.63 62.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.78 170.4 16.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -167.46 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -46.85 174.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 1.2 p30 -41.5 138.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 15.7 m-85 -167.26 -175.86 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 102.35 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 t -47.74 134.62 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.0 -140.86 3.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.74 2.16 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.381 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.0 p -118.7 178.61 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.6 m 54.87 42.01 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.46 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -98.74 103.75 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 p -132.76 162.43 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.71 95.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -70.5 95.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.1 -94.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtt -122.49 132.41 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.8 mp0 -63.86 176.19 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' GLU . 13.5 m -36.77 112.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -108.72 179.17 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.64 145.83 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.21 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.28 -42.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.587 ' SG ' HG12 ' A' ' 17' ' ' VAL . 27.0 p -123.06 -10.65 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.65 26.09 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG12 ' SG ' ' A' ' 15' ' ' CYS . 11.7 p -81.82 125.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -60.96 132.08 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 41.5 m-85 -77.11 123.15 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -142.59 169.51 17.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.0 mp -32.75 -52.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.41 -47.86 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -99.46 82.26 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -56.81 176.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 33.8 tt0 -113.12 128.14 56.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.9 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -115.17 161.64 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.43 147.06 17.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -93.97 167.95 11.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.8 mmtt -108.73 -45.3 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.517 ' OD1' HD21 ' A' ' 64' ' ' LEU . 13.9 t30 -64.79 -73.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -71.4 -35.98 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.96 13.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 84.7 mtt-85 -115.38 164.2 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.18 124.86 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.0 m-85 -133.91 158.96 42.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.7 p -94.81 140.43 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -29.58 -39.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.19 -50.18 65.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 98.2 m -77.93 -36.5 49.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -90.88 55.79 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -116.16 31.63 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -130.72 161.81 30.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.48 146.59 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -166.68 146.15 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.1 mt -54.25 118.6 4.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -102.24 121.37 50.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -12.94 33.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.665 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.9 mtm180 -81.8 -39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.88 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.76 42.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.26 47.6 16.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 p -116.32 139.93 49.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' N ' HD23 ' A' ' 45' ' ' LEU . 28.3 tt0 -71.27 79.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -95.43 159.8 14.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -66.4 110.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.5 m -118.81 163.02 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.2 p -74.62 159.0 32.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.28 -66.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.53 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 58.3 m -40.44 -55.12 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.6 t-80 -44.95 -36.44 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -85.37 -40.96 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -58.32 -45.14 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD21 ' OD1' ' A' ' 30' ' ' ASN . 12.4 mt -72.11 -10.24 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -114.68 -2.65 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 67' ' ' GLY . 18.5 ptt180 -98.15 -39.74 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' C ' ' A' ' 68' ' ' SER . . . -150.73 38.69 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 67' ' ' GLY . 79.7 p -30.31 106.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.839 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.8 p -121.5 128.85 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -134.67 45.97 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -98.55 45.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.79 115.74 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 74' ' ' LYS . 29.3 p -50.44 -45.86 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 73' ' ' SER . 55.8 mttt -159.59 119.34 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -134.6 138.52 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 p -125.77 153.39 73.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.65 69.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.265 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 178.88 4.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -42.19 -46.61 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.27 -178.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 62.82 43.63 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.98 -49.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -38.61 -43.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.95 150.25 3.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.81 69.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.2 t -135.77 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' SER . 25.7 t -35.04 -46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.483 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -81.8 43.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -99.15 120.91 40.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.89 -127.99 1.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 44.7 t -85.85 99.56 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 11.6 t -37.02 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.71 98.51 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mmm -92.29 84.2 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.707 0.289 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -97.6 176.02 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 57.9 m -51.06 105.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -108.81 -176.52 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -89.77 144.2 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -91.38 27.56 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.81 -40.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -123.74 -10.65 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.45 27.68 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' SG ' ' A' ' 15' ' ' CYS . 10.7 p -83.51 129.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -68.55 127.09 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.6 m-85 -69.68 107.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' LEU . 57.5 p -124.5 169.48 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.3 mp -34.97 -53.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -65.72 -42.17 91.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -104.35 102.72 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -72.68 160.5 32.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.9 tt0 -100.13 129.72 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.908 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.0 m-85 -117.42 162.11 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.512 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.86 145.59 16.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -93.6 167.23 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 46' ' ' VAL . 68.5 mmtt -110.4 -41.37 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.7 t30 -67.47 -74.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.9 -35.97 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.59 11.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 83.9 mtt180 -118.39 169.32 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.82 129.6 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.9 m-85 -137.11 160.58 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.82 140.91 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.6 t30 -30.89 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.08 -49.47 66.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.9 m -79.14 -37.37 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -90.1 56.37 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.7 p -115.21 32.13 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 12.0 m-85 -131.71 162.18 31.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.6 139.01 36.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.18 149.32 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 53' ' ' GLN . 10.1 mt -57.13 119.27 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 48' ' ' ARG . 20.9 t -104.18 122.44 44.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.15 36.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.554 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.1 mtt-85 -73.92 -42.35 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.31 -31.39 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.46 42.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 58.98 51.32 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLN . 17.9 p -120.87 133.22 55.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.496 ' N ' HD23 ' A' ' 45' ' ' LEU . 29.4 tt0 -62.51 78.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' THR . 17.6 mm-40 -94.6 158.22 15.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.92 112.43 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.8 m -120.27 160.84 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.24 156.15 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 11.0 tptm -36.36 -66.07 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.73 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.5 m -40.78 -54.64 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.2 t-80 -45.87 -35.73 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 m -85.76 -39.64 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -61.44 -37.33 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD21 ' OD1' ' A' ' 30' ' ' ASN . 11.7 mt -77.23 -14.33 59.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.0 p -108.26 -17.05 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' THR . 8.3 ptm180 -80.74 -38.73 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' ARG . . . 34.08 59.18 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.3 p -134.01 -33.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.819 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -76.15 -44.34 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.36 127.72 56.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.64 138.48 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 123.57 20.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -106.25 111.5 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -74.4 -176.89 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.478 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -159.79 162.98 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.3 t -88.61 131.91 40.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.72 52.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 159.25 54.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -43.85 -55.49 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -95.29 114.7 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -127.35 144.06 51.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -122.87 136.37 54.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.3 m -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.7 12.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 125.64 12.39 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 0.0 112.394 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 m -152.58 158.35 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.8 p -60.64 139.72 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -42.91 -50.13 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -90.47 162.06 15.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.87 148.55 5.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t 68.54 45.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -114.5 149.77 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 -33.06 60.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 mtt 55.57 50.58 14.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.06 178.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.1 m -40.51 112.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -114.95 -177.13 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -92.33 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -90.59 27.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.35 -41.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 p -125.14 -12.47 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.35 25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.8 p -80.36 121.55 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 4.9 ttpp -60.94 126.48 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.7 m-85 -69.6 132.97 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.524 ' OG1' ' CE2' ' A' ' 22' ' ' PHE . 41.4 p -145.71 176.95 9.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -44.68 -38.32 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE2' ' OG1' ' A' ' 20' ' ' THR . 0.1 OUTLIER -86.91 -38.37 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.6 67.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -46.39 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.1 tt0 -110.08 130.22 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.898 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.4 m-85 -114.85 160.94 18.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.33 146.23 16.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -93.67 166.88 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.6 mmtt -109.29 -42.36 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.2 t30 -66.41 -72.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -72.84 -36.51 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.61 44.89 10.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 79.3 mtt-85 -117.3 164.98 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.04 127.7 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.3 m-85 -136.21 159.68 41.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.29 140.61 29.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -30.43 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.56 -49.87 66.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.6 m -78.76 -37.25 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -90.15 55.86 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -116.74 32.6 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.7 m-85 -132.06 163.9 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -141.42 140.85 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.99 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.9 mt -54.13 120.62 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.9 t -103.64 124.76 36.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 3.66 2.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.721 ' H ' HG12 ' A' ' 46' ' ' VAL . 36.4 mtp180 -104.87 -30.72 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.99 34.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.14 48.56 38.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' O ' HD22 ' A' ' 45' ' ' LEU . 3.9 m120 43.27 53.03 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -111.64 141.69 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -70.36 84.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -101.46 160.24 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -66.32 110.73 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.485 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 25.5 m -118.53 160.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.8 p -72.65 155.83 39.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' CYS . 23.5 tptp -36.94 -66.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -39.04 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.7 m -40.94 -54.83 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.65 -33.95 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ARG . 40.2 m -86.03 -42.15 14.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -60.36 -42.04 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD21 ' OD1' ' A' ' 30' ' ' ASN . 24.1 mt -70.74 -19.75 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.0 p -102.03 -19.08 15.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 3.8 ptp180 -80.31 -46.11 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 66' ' ' ARG . . . 84.13 -45.9 3.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -46.51 104.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -166.76 150.73 7.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.27 92.36 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 41.6 41.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.81 -52.69 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.3 m -59.69 175.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 140.79 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -158.28 129.57 6.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.8 m -129.25 151.2 77.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.698 0.761 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 138.88 38.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 80' ' ' ASN . 3.2 pt20 -64.78 126.94 29.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' GLN . 39.8 t-20 33.86 49.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 9.9 t80 -41.44 -65.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 34.25 46.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 2.0 m -111.19 -44.15 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.39 136.57 5.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 1.26 4.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.398 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.3 m -102.43 160.57 14.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -140.82 153.0 45.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.485 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m -117.97 132.93 56.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -159.36 154.23 24.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.8 117.56 0.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -121.64 165.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -160.86 175.64 12.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.37 -156.05 27.76 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -143.31 136.58 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -154.59 -175.87 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -56.52 109.71 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -110.84 177.85 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.99 149.12 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -92.58 25.53 3.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.71 -43.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -120.44 -12.14 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.34 26.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.5 p -79.97 142.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -78.62 130.92 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -78.77 122.18 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 74.7 p -140.82 -177.39 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -38.2 -62.6 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.7 -46.85 80.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -91.84 94.34 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -72.47 167.52 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.0 tt0 -103.52 129.27 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.934 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.9 m-85 -116.01 159.94 20.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.607 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.61 146.84 16.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.78 165.82 12.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.1 mmtt -107.64 -41.1 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.429 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.6 t30 -68.17 -73.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 p -72.28 -34.61 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.11 45.49 15.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 73.1 mtt-85 -117.03 168.6 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.92 127.38 35.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.5 m-85 -135.36 162.04 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.83 140.48 30.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -31.38 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.45 -48.2 71.01 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.7 m -79.28 -37.96 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.58 57.24 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.8 p -118.55 33.01 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.0 m-85 -132.01 160.64 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -136.71 140.76 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.92 152.67 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.3 124.06 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 48' ' ' ARG . 17.2 t -109.94 122.09 40.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.45 32.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.641 ' H ' HG12 ' A' ' 46' ' ' VAL . 41.8 mtp180 -80.77 -39.8 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.56 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.46 41.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.27 48.06 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 p -118.09 138.76 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -69.56 85.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -101.78 160.59 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.77 110.3 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.44 162.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -74.85 153.54 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' CYS . 10.5 tppt? -34.98 -65.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.34 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.8 m -41.48 -55.54 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.5 t-80 -46.63 -33.57 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.406 ' HA ' ' HG1' ' A' ' 65' ' ' THR . 22.6 m -87.56 -36.78 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.05 -42.05 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.429 HD21 ' OD1' ' A' ' 30' ' ' ASN . 22.2 mt -72.79 -16.97 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.406 ' HG1' ' HA ' ' A' ' 62' ' ' THR . 38.6 p -100.69 -24.42 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -74.91 -31.81 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.97 -125.75 3.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 m -174.67 159.24 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -42.57 70.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.52 112.78 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -123.49 136.08 54.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.36 132.57 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t 51.91 41.75 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 74' ' ' LYS . 1.6 pptp? -49.95 142.77 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -88.36 128.54 35.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.8 t -130.21 143.44 49.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.1 36.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.8 23.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -39.33 -42.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.53 131.46 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -157.75 122.93 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp 53.73 41.96 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -145.5 139.92 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.71 -177.52 30.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -23.48 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.7 m -51.51 126.02 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -108.32 100.38 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -67.23 158.18 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -122.86 132.73 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.55 126.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -128.25 115.7 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -142.35 116.97 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 -105.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -49.0 114.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -125.59 -52.58 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 m -108.84 99.86 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 9.3 mtp180 -126.89 -176.03 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.529 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.2 t -87.18 145.81 26.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -90.86 26.62 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.8 -41.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 9.8 p -121.91 -10.21 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.53 25.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.529 HG12 ' CB ' ' A' ' 12' ' ' CYS . 5.0 p -78.9 147.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 24.4 tttt -89.22 127.92 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 36.0 m-85 -72.93 132.52 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -142.15 -175.6 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -52.3 -43.26 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.09 -36.23 41.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -104.47 96.9 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -69.88 162.8 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 10.0 tm-20 -105.64 132.17 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.915 ' HB3' HD23 ' A' ' 40' ' ' LEU . 2.8 m-85 -113.95 161.47 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -126.79 146.88 16.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.82 160.48 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.625 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.6 mmtm -101.53 -44.24 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -64.06 -74.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -71.84 -34.36 69.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.61 45.51 17.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 88.9 mtt180 -115.9 166.96 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.56 124.98 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.6 m-85 -133.25 158.1 43.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' CYS . 17.5 p -93.75 147.85 22.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.2 -37.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.19 -38.38 95.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.9 m -88.76 -47.51 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -79.3 59.16 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 p -119.58 33.29 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 16.5 m-85 -133.8 158.64 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.78 137.19 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.94 149.05 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 120.21 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.5 t -103.73 122.29 45.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.175 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.4 3.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.724 ' H ' HG12 ' A' ' 46' ' ' VAL . 40.7 mtp180 -101.44 -35.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.8 22.22 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.55 50.24 4.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 41.96 52.93 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -114.62 137.96 51.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.44 89.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -106.75 160.49 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -67.06 105.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.0 m -112.28 167.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.8 p -80.01 154.64 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 13.4 tptm -35.45 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.7 tt0 -39.33 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.1 m -42.53 -53.86 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.69 -32.74 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 m -89.47 -38.38 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -62.98 -37.18 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.7 mt -76.93 -20.33 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 p -98.64 -21.78 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 67' ' ' GLY . 15.0 ptt180 -76.2 -37.66 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . 37.05 75.53 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 m -107.53 -59.97 1.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -81.61 113.85 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.29 146.11 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -47.49 148.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.02 104.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -137.11 128.89 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -127.64 145.54 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.642 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 5.2 p-90 -110.45 141.95 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 97.2 p -98.61 135.02 21.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.642 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 53.6 Cg_endo -69.75 152.57 69.4 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 179.63 3.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -69.27 -53.42 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -87.09 81.82 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -172.14 113.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -138.25 146.94 43.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -147.45 158.8 44.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.53 -174.88 17.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 t -55.13 108.71 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -134.23 143.41 47.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -91.56 116.7 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -94.86 82.69 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.56 69.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -85.45 119.18 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -105.31 142.33 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.38 69.07 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -122.45 90.34 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.84 -175.31 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 p -57.31 109.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mtt180 -112.44 -175.69 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' CB ' HG12 ' A' ' 17' ' ' VAL . 30.3 t -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -92.06 27.36 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.61 -39.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.2 p -123.67 -10.31 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.86 27.05 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 12' ' ' CYS . 8.0 p -80.92 148.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -87.17 120.3 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 31.6 m-85 -64.64 113.46 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LYS . 50.2 p -134.88 172.74 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.543 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -37.17 -44.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.52 -38.69 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' THR . 17.6 tptt -107.29 97.72 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -68.47 164.48 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.74 133.62 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.922 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -123.09 162.24 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.87 146.7 16.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.22 166.55 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.7 mmtt -109.14 -41.45 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.435 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -67.64 -74.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -69.79 -35.39 74.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.97 44.3 12.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.4 mtt-85 -118.64 165.4 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.51 132.38 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.9 m-85 -139.51 159.45 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -94.37 147.38 23.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.51 -36.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.93 94.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.4 m -89.41 -46.74 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.15 59.64 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -120.72 35.41 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 19.7 m-85 -135.24 159.17 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.33 138.27 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.44 148.34 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.8 mt -54.94 121.12 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -107.08 121.93 43.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.94 37.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.5 mtp85 -76.01 -40.95 52.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.97 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.08 41.9 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.68 51.38 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.985 0.421 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 p -121.57 134.11 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 32.8 tt0 -63.37 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -98.16 157.04 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -65.16 108.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -116.15 165.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -77.29 155.32 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 9.0 tptm -36.2 -65.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.77 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.0 m -41.62 -53.45 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.8 t-80 -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' ARG . 85.7 m -86.61 -42.69 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -58.84 -41.08 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 30' ' ' ASN . 26.3 mt -73.33 -17.02 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -105.21 -15.78 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.5 ptm180 -87.77 -42.88 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' A' ' 66' ' ' ARG . . . 171.07 102.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.3 t -60.64 92.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -73.56 169.02 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -77.05 178.8 6.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -155.38 178.47 10.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -44.2 169.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 51.2 p -34.46 121.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 123.7 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 6.1 t90 -52.11 131.0 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -94.3 153.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.73 165.5 30.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -176.76 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -85.45 41.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 34.5 t30 -129.41 40.23 3.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LYS . 4.9 t80 -136.83 162.78 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 21.9 tptm -37.41 113.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.9 p -154.7 151.53 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.61 166.56 7.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 86.64 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -85.95 174.12 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 t -77.24 136.61 38.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.528 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -174.72 149.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -152.43 149.34 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.71 117.04 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -151.08 173.58 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -88.4 152.52 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 11' ' ' ARG . . . -43.44 119.71 2.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ptp -83.2 41.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.53 -175.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -61.16 108.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 35.6 mtm-85 -117.59 -174.87 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.5 t -93.45 145.02 24.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -91.54 28.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -125.28 -11.51 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.69 25.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG21 ' HE2' ' A' ' 23' ' ' LYS . 8.5 p -82.25 131.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 126.18 28.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.9 m-85 -69.39 115.23 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' LEU . 31.1 p -137.03 172.38 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -33.82 -53.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -68.59 -50.64 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.65 84.28 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -58.34 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 22.1 tt0 -111.79 130.35 55.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.953 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.4 m-85 -120.07 162.67 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.579 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.46 146.02 16.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -93.44 165.69 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.4 mmtt -109.21 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.3 t30 -68.96 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.2 p -70.13 -35.64 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.13 44.25 9.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 83.6 mtt180 -118.22 167.77 11.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 128.71 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.3 m-85 -135.56 157.92 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.2 p -92.23 147.91 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -39.23 -36.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.42 93.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.3 m -89.34 -47.34 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.953 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -79.56 59.29 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.4 p -119.22 34.65 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.8 m-85 -134.48 160.59 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 137.21 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.9 149.81 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.74 122.2 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -108.9 122.11 40.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.19 34.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.524 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.9 mtp180 -73.39 -37.35 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.16 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 54.8 47.99 21.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -118.92 134.98 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.87 87.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -104.14 158.36 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.46 107.97 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.8 m -115.79 163.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -75.95 154.18 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' CYS . 5.0 tppp? -35.14 -65.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.3 tt0 -39.6 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.0 m -41.65 -54.96 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.0 t-80 -46.93 -33.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -88.17 -35.0 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -66.53 -39.26 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -76.45 -13.07 60.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -105.45 -22.9 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' GLY . 6.3 ptm180 -74.09 -37.64 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -100.94 -100.86 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -174.87 177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -47.64 168.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -43.34 164.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ALA . 49.3 p-10 -40.52 155.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ASN . . . -34.22 126.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -56.97 179.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' TRP . 12.6 ttpt -48.13 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 40.8 t90 -33.18 131.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -107.44 157.17 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.7 Cg_endo -69.78 170.45 16.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.1 Cg_endo -69.78 -167.41 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' PRO . 18.0 tp60 -35.72 154.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 66.85 39.23 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 83' ' ' SER . 3.5 p90 -103.73 176.22 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.6 88.81 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.495 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . 31.0 t -151.57 119.26 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.56 134.76 42.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 113.6 3.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p -129.39 162.77 27.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.7 p -74.86 -44.73 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.499 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -68.65 154.01 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -88.35 128.74 35.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.03 136.46 2.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -152.0 150.88 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -164.77 120.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.12 122.13 3.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -94.76 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -84.19 -46.22 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -116.46 104.34 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 38.2 mtt180 -125.98 179.26 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 t -92.7 142.21 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 4.1 t80 -87.01 26.22 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.36 -38.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.3 p -127.87 -7.21 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 67.12 27.1 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.74 131.16 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -64.99 134.7 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 m-85 -78.99 121.84 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LEU . 38.5 p -145.99 170.68 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.2 mt -35.2 -45.76 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.48 -50.27 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -101.36 79.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.6 164.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 21.0 tt0 -106.27 125.81 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.848 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.7 m-85 -116.23 162.14 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.586 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.08 146.76 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.87 166.78 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.5 mmtt -111.58 -38.43 4.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.497 ' OD1' HD21 ' A' ' 64' ' ' LEU . 8.7 t30 -69.11 -72.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -71.29 -37.32 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.6 43.52 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 80.5 mtt180 -118.08 168.6 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.57 127.89 35.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.2 m-85 -136.37 155.19 50.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' GLY . 23.0 p -88.61 140.37 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -31.26 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.67 -48.95 62.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.1 m -79.12 -32.65 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -94.86 57.85 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -117.06 34.07 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.588 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.9 m-85 -132.18 159.71 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -136.62 143.91 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.96 152.67 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 53' ' ' GLN . 13.6 mt -58.18 124.38 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.6 t -110.83 122.2 38.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.676 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.1 mtp180 -83.02 -38.71 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.0 -33.53 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.22 40.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.05 48.53 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 p -118.89 135.54 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 tt0 -67.53 78.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -92.57 162.02 14.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -67.33 108.94 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -115.0 161.74 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.597 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.16 157.07 36.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 22.5 tptp -37.58 -65.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -40.08 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -39.36 -55.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.3 t-80 -45.24 -36.18 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.427 HG22 ' CD ' ' A' ' 66' ' ' ARG . 21.8 m -84.46 -40.01 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 69' ' ' SER . 1.3 mt -60.0 -51.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.0 mt -60.87 -47.4 86.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -68.86 -30.55 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' CD ' HG22 ' A' ' 62' ' ' THR . 14.9 mtp180 -69.7 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.11 -39.12 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -119.5 40.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.667 ' HB3' HG23 ' A' ' 63' ' ' ILE . 7.0 t -83.94 41.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -147.63 154.64 40.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -101.47 145.86 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.53 106.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.4 m -149.15 133.33 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.88 111.75 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -53.84 128.18 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -134.17 142.91 44.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 138.69 38.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 175.6 7.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -75.94 157.42 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m120 55.81 34.31 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 4.2 p90 -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.97 115.91 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLY . 32.3 t -157.35 118.17 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 83' ' ' SER . . . 35.12 -140.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HD2' ' HA3' ' A' ' 84' ' ' GLY . 53.8 Cg_endo -69.73 166.78 26.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -111.91 132.73 54.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -129.73 117.5 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.439 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -84.04 47.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -141.88 117.58 10.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.74 -129.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -44.67 -58.28 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.903 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m 52.19 40.82 29.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.47 107.15 2.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 38.61 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -55.37 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -58.62 104.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -120.46 -175.38 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -92.55 144.5 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.68 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.7 -40.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.2 p -125.0 -12.06 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.98 25.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -79.74 121.29 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -63.55 128.81 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 22.8 m-85 -72.22 137.69 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 p -147.41 -176.18 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -50.46 -42.59 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -84.08 -32.04 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 17' ' ' VAL . 3.1 tppt? -103.56 87.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -64.51 160.91 18.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 59.4 tt0 -103.23 136.37 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.91 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.0 m-85 -120.27 161.36 21.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.561 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.83 146.59 16.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -96.78 159.66 14.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.9 mmtm -101.05 -42.94 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.6 t30 -64.37 -74.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 p -72.05 -35.65 69.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.09 46.31 10.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.6 mtt180 -117.39 167.56 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.868 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.26 124.19 33.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 76.9 m-85 -132.53 160.7 35.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -95.67 140.53 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -30.81 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.53 -49.11 72.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.9 m -79.34 -38.66 34.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.94 58.3 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -119.65 33.47 5.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.6 m-85 -132.26 162.6 30.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 140.3 41.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.1 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -53.45 122.66 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 48' ' ' ARG . 32.8 t -110.82 121.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -16.12 37.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 46' ' ' VAL . 25.2 mtp85 -77.97 -39.96 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.78 -29.1 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.46 44.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.08 49.41 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . 13.6 p -120.23 134.0 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.51 76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' THR . 25.6 mm-40 -93.86 160.62 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.22 113.6 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 m -120.72 164.25 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.4 p -75.91 156.29 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' CYS . 48.2 tptt -35.99 -66.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.2 tt0 -39.99 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.2 m -40.42 -55.15 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.1 t-80 -45.16 -36.46 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ARG . 21.2 m -84.33 -43.86 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -57.11 -43.56 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.7 mt -73.5 -7.76 53.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.2 p -119.26 -3.12 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.0 ptm180 -96.87 -42.04 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -157.07 50.74 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -94.1 169.54 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.3 p -161.23 166.58 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -77.06 106.4 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.78 101.45 13.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.29 -51.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 74' ' ' LYS . 75.4 p -168.63 118.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.5 tptm -34.26 118.76 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 75.6 t90 -107.45 127.59 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.3 p -115.89 131.3 23.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.8 169.26 19.39 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 156.81 62.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -68.29 148.14 51.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 56.64 51.05 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -67.45 -43.72 80.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.05 161.53 13.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t -94.21 100.2 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -159.02 151.87 22.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.27 16.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.1 p -152.17 157.18 41.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.9 p -97.26 164.95 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -82.76 163.51 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -40.47 158.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.19 -125.81 1.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 m -80.29 125.46 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -131.44 142.44 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.96 126.06 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.16 83.58 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -123.72 176.61 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m -42.48 112.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 29.5 mtm-85 -112.37 -176.46 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 t -93.47 141.11 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -87.6 28.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.61 -41.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 p -125.05 -8.35 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 68.3 28.25 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.6 p -83.08 124.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -61.91 131.02 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.46 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 33.2 m-85 -75.84 111.88 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LEU . 40.3 p -130.89 168.81 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.7 mp -32.55 -51.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -68.18 -45.06 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.3 tppt? -102.2 100.87 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 167.32 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -107.15 128.67 54.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.895 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.6 m-85 -117.29 161.87 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.24 146.12 16.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.9 164.07 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -107.34 -40.75 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.591 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.5 t30 -67.35 -74.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -70.56 -35.99 73.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 43.96 10.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.3 mtt180 -117.52 165.17 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.36 128.18 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.8 m-85 -135.48 160.32 38.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 38' ' ' GLY . 16.8 p -94.86 140.56 29.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 2.9 t30 -31.22 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.87 -48.93 71.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.8 m -79.61 -38.59 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.895 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.36 55.8 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -115.5 29.54 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 14.4 m-85 -127.64 163.63 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.94 149.27 47.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.04 146.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 53' ' ' GLN . 15.1 mt -57.11 123.73 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -105.14 124.74 35.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.71 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.3 mtt85 -104.98 -30.06 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.05 31.43 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.16 43.19 33.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 45' ' ' LEU . 5.5 m120 46.54 52.75 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 p -111.99 139.01 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.614 ' N ' HD23 ' A' ' 45' ' ' LEU . 16.8 tt0 -65.92 81.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -99.11 161.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.44 113.87 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.514 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -120.56 159.77 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -72.66 154.68 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.4 tptm -36.15 -65.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.492 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.52 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.1 m -40.25 -55.88 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.8 t-80 -44.45 -33.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -88.21 -38.07 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 mt -60.93 -49.08 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.1 mt -63.12 -46.11 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -69.4 -32.04 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -65.89 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.47 -134.46 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.4 t -154.96 140.99 18.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.4 p -77.55 159.54 29.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.78 156.15 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.92 155.41 19.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -173.57 175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' ALA . 30.9 t -34.77 114.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -113.68 175.14 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.645 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 6.0 p-90 -139.82 126.07 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.591 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 13.3 t -81.34 141.69 49.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.645 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 54.2 Cg_endo -69.75 157.99 58.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.1 Cg_endo -69.8 165.06 32.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.267 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' PRO . 10.2 mm-40 -34.06 -40.44 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -88.49 130.84 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -171.82 168.36 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -105.11 93.48 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.0 t -52.87 -52.2 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.17 173.04 4.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.58 45.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 t -122.29 146.02 47.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 t -48.35 -60.27 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.462 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -117.89 162.97 17.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -151.46 146.69 26.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.02 174.47 46.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 t -164.9 131.52 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -121.96 91.95 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.09 177.15 17.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 tpp -174.98 155.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.695 0.283 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' SER . 1.7 mp0 -62.9 179.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' GLU . 50.0 m -36.2 112.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -111.9 -178.73 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t -88.04 144.04 26.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -90.86 28.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.91 -41.87 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.6 p -124.08 -10.63 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.07 25.17 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.3 127.69 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.52 135.11 55.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.0 m-85 -80.66 129.43 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 p -150.21 176.29 10.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.9 mt -38.71 -44.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -78.13 -53.23 7.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' HG11 ' A' ' 17' ' ' VAL . 19.1 tptt -92.48 80.36 4.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.27 174.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 32.8 tt0 -115.0 131.08 57.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.906 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.8 m-85 -118.16 161.8 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.569 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.25 146.45 16.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -94.35 166.59 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -109.94 -41.27 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -66.96 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.57 -37.1 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.81 44.39 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.1 mtt180 -118.12 166.29 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.28 129.79 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.7 m-85 -137.89 156.52 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -92.0 146.26 23.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.2 p30 -37.42 -35.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -39.14 94.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.9 m -88.72 -43.13 11.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.906 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -83.74 58.15 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -118.45 34.33 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 9.7 m-85 -133.85 162.02 33.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.11 143.59 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.783 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.19 148.65 8.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.9 mt -55.17 123.1 12.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.2 t -107.57 126.62 29.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 5.35 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.7 ' H ' HG12 ' A' ' 46' ' ' VAL . 26.2 mtp180 -110.71 -30.26 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.95 29.75 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 52' ' ' THR . . . 71.02 50.16 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 5.8 p-10 44.29 54.99 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' GLY . 75.9 p -125.06 145.5 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' N ' HD23 ' A' ' 45' ' ' LEU . 34.9 tt0 -72.39 96.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -110.09 162.56 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.96 111.75 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 30.6 m -119.81 159.36 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -71.69 154.1 41.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' CYS . 26.9 tptt -35.51 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.25 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.2 m -41.01 -55.02 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 5.5 t-80 -45.84 -35.12 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -87.35 -36.19 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.71 -47.68 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -64.24 -46.94 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -68.25 -34.68 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -61.05 -61.32 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.74 75.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -49.54 175.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -89.72 170.78 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -92.81 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -87.58 90.78 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.93 89.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -71.91 162.72 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -99.72 131.15 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.512 ' C ' ' CE3' ' A' ' 75' ' ' TRP . 0.2 OUTLIER -108.14 80.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 15.9 m -99.38 107.38 44.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.5 Cg_endo -69.75 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 176.74 6.32 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.252 . . . . 0.0 112.414 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.24 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -73.11 90.09 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 47.2 t80 -100.65 41.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -104.13 142.05 35.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.4 t -157.41 163.11 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.27 -165.61 53.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -82.15 40.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.5 p -81.9 90.86 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.458 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.7 143.0 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -90.25 26.09 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 -40.29 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -122.88 -10.61 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.45 26.92 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.38 140.0 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 8.0 ttpp -78.82 132.64 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.7 m-85 -76.81 121.55 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.473 ' CG2' ' HE3' ' A' ' 18' ' ' LYS . 39.6 p -140.96 175.48 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.57 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -40.05 -42.83 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.81 -42.35 34.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -104.58 95.69 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.39 162.45 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 19.9 tt0 -102.71 133.15 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.951 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -120.62 161.55 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.54 145.24 15.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.88 167.16 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.31 -42.4 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.1 t30 -67.21 -74.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -70.24 -33.03 71.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.41 23.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 84.9 mtt180 -116.17 170.12 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.76 129.01 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.67 163.58 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.9 p -98.65 141.26 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -31.58 -36.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.57 -48.89 68.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' CYS . 86.0 m -79.31 -40.78 29.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -85.46 58.76 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -120.11 32.55 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.2 m-85 -131.45 157.25 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -133.46 137.1 45.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.52 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD23 ' CA ' ' A' ' 53' ' ' GLN . 6.7 mt -56.16 120.18 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 48' ' ' ARG . 23.9 t -104.38 123.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.12 4.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.728 ' H ' HG12 ' A' ' 46' ' ' VAL . 44.7 mtp180 -99.78 -33.77 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.18 26.27 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.89 23.86 54.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.25 50.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -115.02 141.52 47.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' CA ' HD23 ' A' ' 45' ' ' LEU . 10.1 tt0 -65.09 85.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -101.26 157.98 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -65.35 109.73 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.509 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 34.4 m -117.07 164.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -76.35 153.57 35.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.5 tptm -34.78 -65.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.54 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.4 m -41.76 -55.0 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -45.65 -33.72 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.4 m -87.98 -40.56 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -60.52 -38.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.405 HD21 ' OD1' ' A' ' 30' ' ' ASN . 27.3 mt -75.62 -19.68 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.8 p -101.01 -18.59 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' THR . 20.2 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.1 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.834 0.35 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -92.16 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 2.7 t80 -90.35 27.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.43 -43.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' HG12 ' A' ' 17' ' ' VAL . 24.0 p -121.41 -9.92 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.4 27.71 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 15' ' ' CYS . 9.9 p -84.59 136.92 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -71.69 124.63 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.2 m-85 -66.72 107.07 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -126.44 171.82 10.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -34.61 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -65.82 -42.96 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.19 81.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -58.05 173.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -108.59 130.97 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.931 ' HB3' HD23 ' A' ' 40' ' ' LEU . 9.9 m-85 -120.08 162.57 19.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.07 143.54 14.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -91.15 165.56 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.2 mmtt -107.33 -42.5 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.0 t30 -67.23 -74.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -69.91 -34.68 73.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.93 16.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 87.1 mtt180 -116.76 168.98 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.0 m-85 -137.47 160.53 38.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.53 141.52 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.2 t-20 -31.84 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.18 -48.45 69.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 84.2 m -79.11 -39.91 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.07 53.58 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.0 p -114.22 30.19 7.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.3 m-85 -128.86 162.89 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.55 147.5 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -169.27 153.13 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.97 120.76 10.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 48' ' ' ARG . 35.9 t -102.14 124.84 38.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.49 2.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.736 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.5 mtp180 -103.69 -33.53 8.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.97 33.55 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.84 37.91 65.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 55.21 54.44 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -112.35 134.73 53.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -63.35 79.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -98.36 162.08 13.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -66.54 114.33 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.519 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.4 m -121.9 162.09 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -75.82 153.99 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 19.8 tptp -34.56 -65.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.62 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.9 m -42.35 -53.51 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -48.03 -33.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -88.75 -35.64 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.86 -37.28 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.8 mt -77.54 -15.44 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 p -103.32 -21.95 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 24.9 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.3 t -91.81 142.52 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -89.04 26.03 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.84 -39.82 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 17' ' ' VAL . 22.7 p -126.24 -9.79 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 70.46 27.82 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 12.3 p -84.34 127.31 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -63.53 134.6 55.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 38.7 m-85 -77.98 126.68 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 70.5 p -143.81 174.77 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.6 mp -38.01 -54.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.82 -46.86 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -97.79 81.23 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.66 172.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -110.8 129.64 55.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.914 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.3 m-85 -116.2 162.15 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.08 144.86 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.97 166.24 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.5 mmtt -108.83 -41.91 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.4 t30 -67.13 -74.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.7 p -70.35 -33.84 71.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.84 44.64 19.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.9 mtt180 -116.1 171.58 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.97 128.33 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.6 m-85 -137.05 160.22 39.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.2 p -95.71 141.45 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -31.15 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.49 -50.59 58.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.8 m -77.58 -38.3 48.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.914 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.3 54.0 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 p -113.97 31.88 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.8 m-85 -132.02 158.51 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.61 137.1 39.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.24 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.81 119.83 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG12 ' H ' ' A' ' 48' ' ' ARG . 19.0 t -102.68 123.75 41.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.171 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.88 4.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.69 ' H ' HG12 ' A' ' 46' ' ' VAL . 46.1 mtp180 -101.36 -30.95 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.48 27.9 4.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.65 40.84 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.36 52.15 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -114.37 137.56 51.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.3 92.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -108.95 161.77 14.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -67.72 106.8 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.533 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -114.52 163.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -76.82 153.55 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' CYS . 4.2 tppp? -34.67 -65.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.8 tt0 -39.53 -73.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.0 m -42.77 -52.56 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 1.8 t-80 -47.74 -33.01 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -89.75 -36.27 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -64.86 -34.79 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' OD1' ' A' ' 30' ' ' ASN . 15.1 mt -80.33 -16.79 53.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -102.69 -17.94 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 23.3 mtm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -92.05 142.92 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -89.36 25.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.71 -39.87 0.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 13.7 p -123.89 -11.02 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.98 27.09 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.9 p -82.56 137.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -74.76 122.19 22.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.0 m-85 -64.94 102.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.2 p -123.02 173.62 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.3 mp -35.53 -51.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -68.02 -46.81 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -100.27 105.88 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -75.22 166.87 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.9 tt0 -104.93 129.24 53.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.3 m-85 -121.43 163.09 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.8 146.73 17.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.14 158.81 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' HG21 ' A' ' 46' ' ' VAL . 31.1 mmtm -100.25 -43.35 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.567 ' OD1' HD21 ' A' ' 64' ' ' LEU . 7.6 t30 -64.59 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.42 -36.01 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.89 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 86.5 mtt-85 -117.34 165.67 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.05 125.59 34.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.3 m-85 -132.69 162.29 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.7 p -96.5 141.23 30.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.1 t30 -32.06 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.69 -48.44 67.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 89.7 m -79.75 -39.07 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.04 58.89 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 30.13 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 7.6 m-85 -129.22 160.61 32.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -138.55 138.83 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.74 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 53' ' ' GLN . 8.9 mt -57.17 117.69 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.4 t -103.55 122.35 45.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.643 0.735 . . . . 0.0 111.149 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.13 37.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.3 mtt-85 -75.72 -41.62 52.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -28.84 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.83 46.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 53.84 49.47 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLN . 16.5 p -119.17 132.29 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.509 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -61.89 77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 20.3 mm-40 -92.14 160.29 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -68.85 112.9 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.534 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -119.88 165.62 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -79.07 156.54 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.4 tptp -36.32 -66.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -40.02 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 55.6 m -41.87 -54.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -46.01 -34.41 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ARG . 17.7 m -87.1 -43.49 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -57.33 -41.55 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.5 mt -72.32 -20.63 61.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -101.61 -13.74 17.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' THR . 4.8 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 58.4 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' CB ' HG12 ' A' ' 17' ' ' VAL . 38.2 t -89.93 144.19 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.76 25.35 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.97 -41.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.5 p -122.46 -10.07 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.39 26.75 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 12' ' ' CYS . 9.3 p -80.43 146.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -83.15 130.57 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.7 m-85 -75.12 126.12 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LEU . 48.5 p -146.6 171.85 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.4 mp -35.22 -51.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.35 -50.06 36.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -95.67 81.86 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -56.88 172.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.7 tt0 -110.85 130.59 55.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.928 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.7 m-85 -116.18 161.7 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.554 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.92 145.63 16.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.469 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.51 166.26 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.02 -41.37 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.473 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.1 t30 -67.51 -74.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.0 p -70.27 -35.56 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.05 44.21 12.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.5 mtt-85 -117.41 166.89 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.87 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.2 m-85 -137.15 161.84 35.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.0 p -96.81 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.7 t30 -30.42 -37.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.91 -49.35 68.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 91.5 m -78.83 -37.7 39.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.928 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.78 57.77 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -118.14 33.63 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.1 m-85 -133.5 161.56 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -138.97 138.52 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.28 149.13 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 53' ' ' GLN . 14.0 mt -54.25 121.1 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.6 t -106.31 124.51 35.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.43 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.727 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtp-105 -108.96 -28.88 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 25.09 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 52' ' ' THR . . . 75.95 50.33 7.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 6.0 p-10 43.1 54.96 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 50' ' ' GLY . 63.5 p -127.07 145.04 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.4 tt0 -71.82 102.89 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -116.24 160.8 19.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -65.82 106.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -115.01 161.91 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.0 p -73.69 154.51 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' CYS . 3.9 tppp? -35.8 -65.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.3 -74.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.3 m -41.1 -55.85 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -44.97 -34.04 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 66' ' ' ARG . 19.9 m -88.18 -37.6 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.473 HD11 ' NE2' ' A' ' 59' ' ' GLN . 1.2 mt -62.84 -39.36 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD21 ' OD1' ' A' ' 30' ' ' ASN . 16.4 mt -75.03 -19.57 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.6 p -99.35 -21.16 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.8 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -89.83 147.77 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -93.53 27.68 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.05 -42.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -120.01 -10.99 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.47 26.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.4 141.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 139.78 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 35.7 m-85 -85.3 128.68 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -142.27 173.73 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.6 mp -41.67 -42.11 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.24 -41.77 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 99.49 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -68.67 160.24 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 8.8 tm-20 -104.87 133.3 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.5 m-85 -115.2 161.03 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.56 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.73 146.0 16.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -93.82 165.97 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.6 mmtt -108.98 -41.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.0 t30 -67.03 -74.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.97 -35.1 74.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.4 45.09 11.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 82.7 mtt180 -117.75 170.41 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 128.54 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.64 158.6 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLY . 21.3 p -93.83 141.47 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -31.38 -37.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.84 -49.93 64.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.0 m -78.23 -39.14 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -87.66 59.46 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 p -119.79 33.85 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.6 m-85 -133.77 159.56 40.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 137.99 40.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.32 148.03 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.2 mt -54.57 121.32 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.1 t -106.76 121.9 43.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.63 37.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.579 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.0 mtp180 -75.78 -38.52 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.28 -30.4 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.42 41.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.49 50.65 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -120.31 133.54 55.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.9 tt0 -63.48 81.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -98.16 158.16 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -65.34 110.57 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.51 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.46 162.52 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.89 154.62 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 21.0 tptp -35.73 -65.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.515 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.6 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.9 m -41.56 -55.59 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -46.29 -32.92 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' ARG . 39.9 m -87.05 -42.35 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -59.99 -40.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD21 ' OD1' ' A' ' 30' ' ' ASN . 59.2 mt -72.07 -20.34 61.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 p -102.02 -16.54 16.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' THR . 6.9 ptp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 13.2 mtp180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.61 141.97 28.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.4 t80 -86.34 25.34 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.56 -41.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.5 p -123.9 -12.11 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.63 25.14 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.59 127.42 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -76.23 117.39 17.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -134.05 175.28 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -40.49 -46.99 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.98 -41.41 64.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -104.31 98.71 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -68.21 168.86 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 17.3 tt0 -109.9 132.09 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.5 m-85 -118.42 161.94 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.72 146.36 16.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -94.3 167.04 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.2 mmtt -109.54 -42.17 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.9 t30 -66.87 -74.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.21 -35.65 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.01 44.14 12.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 82.6 mtt-85 -117.36 168.16 10.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.15 128.99 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.6 m-85 -136.42 161.19 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.2 p -96.25 139.86 31.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -30.01 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -62.75 -49.48 72.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.1 m -79.16 -38.14 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.84 58.39 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -119.08 34.07 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 19.1 m-85 -133.66 158.18 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -135.77 138.17 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.33 149.57 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -53.61 122.1 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -107.33 122.85 39.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.25 35.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.538 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.6 mtp180 -73.72 -38.46 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.56 -26.52 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 51' ' ' ASN . . . 124.94 53.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 4.0 p-10 48.08 53.69 11.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.7 p -122.14 135.03 54.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.98 84.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -102.8 156.78 17.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -63.24 108.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.8 m -117.12 160.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -72.53 153.74 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 36.1 tptt -35.24 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.5 tt0 -39.37 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -41.01 -56.84 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.9 t-80 -44.35 -33.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' ARG . 20.9 m -87.87 -39.07 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.1 mt -62.45 -37.42 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -77.23 -15.92 59.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.967 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.9 p -104.9 -19.26 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' THR . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 18.6 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -89.74 143.65 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.493 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.59 25.91 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.54 -39.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -125.23 -13.39 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.42 25.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.701 HG21 ' HE3' ' A' ' 23' ' ' LYS . 9.2 p -81.43 122.89 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -62.03 128.4 35.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -71.88 122.76 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 p -139.53 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.187 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.6 mt -41.65 -43.73 2.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.53 -35.16 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.701 ' HE3' HG21 ' A' ' 17' ' ' VAL . 7.0 tppt? -108.26 94.25 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 165.77 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 42.3 tt0 -107.02 129.88 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.902 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.2 m-85 -117.97 161.74 19.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.589 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.09 146.4 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.38 165.65 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -108.77 -40.74 4.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.47 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.9 t30 -67.51 -72.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.3 -36.44 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.32 44.72 9.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.6 mtt-85 -117.77 166.63 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.8 126.85 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.4 m-85 -134.43 160.1 39.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -94.53 140.53 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.4 t30 -31.13 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.06 -49.14 69.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.1 m -78.99 -38.89 35.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -87.98 59.93 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -120.8 33.02 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.1 m-85 -132.35 161.0 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.93 141.36 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.69 145.48 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 51' ' ' ASN . 11.7 mt -52.08 121.37 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -103.64 123.28 41.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.576 0.703 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.701 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.1 mtp180 -102.6 -30.46 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.85 28.28 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 47.63 8.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.6 m-20 43.93 51.12 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -109.96 139.54 44.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.0 tt0 -66.62 89.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -106.92 158.12 17.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -65.65 108.79 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.495 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.9 m -116.14 161.39 14.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.5 p -72.62 154.75 40.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 34.6 tptt -36.01 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.6 tt0 -39.51 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.7 m -39.03 -56.16 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 6.3 t-80 -44.93 -35.64 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' GLN . 21.2 m -85.74 -36.98 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.0 mt -61.53 -51.36 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.4 mt -59.78 -49.39 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -65.64 -36.27 83.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 42.9 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 t -92.59 141.44 28.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.47 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -88.21 27.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.57 -41.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 18.5 p -124.8 -11.97 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.97 25.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -80.96 125.58 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.44 132.55 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -76.21 127.46 32.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 21' ' ' LEU . 62.4 p -147.08 170.65 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.5 mp -33.94 -53.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.52 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -97.33 81.84 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -57.6 171.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 56.3 tt0 -110.77 131.67 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -117.58 162.13 18.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.06 145.84 16.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.29 164.36 13.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.3 mmtt -107.35 -40.12 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.3 t30 -68.13 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.1 p -70.49 -35.11 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.99 44.28 12.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.8 mtt180 -117.25 168.48 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.88 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.18 161.5 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -96.07 140.73 30.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.1 t30 -31.22 -37.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.33 -48.83 70.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.9 m -79.26 -38.94 34.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.4 60.78 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -120.22 34.01 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.809 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -134.01 163.27 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.38 140.88 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.1 153.19 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.4 mt -57.44 122.38 12.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.0 t -108.74 121.51 42.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -17.97 37.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.28 . . . . 0.0 112.379 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.6 mtp180 -75.87 -37.33 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.94 -30.26 21.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.76 49.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 50.61 48.22 22.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 p -118.46 131.81 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.8 tt0 -63.84 89.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -106.09 160.89 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.03 109.24 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.2 m -116.95 162.01 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.08 154.01 39.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 40.8 tptt -35.0 -65.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.6 m -40.07 -54.54 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.2 t-80 -47.08 -35.07 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 38.7 m -85.76 -38.04 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.24 -50.59 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.3 mt -61.21 -41.75 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 p -74.18 -31.4 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.64 145.83 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.21 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.28 -42.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.587 ' SG ' HG12 ' A' ' 17' ' ' VAL . 27.0 p -123.06 -10.65 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.65 26.09 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.587 HG12 ' SG ' ' A' ' 15' ' ' CYS . 11.7 p -81.82 125.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -60.96 132.08 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 41.5 m-85 -77.11 123.15 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -142.59 169.51 17.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.0 mp -32.75 -52.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.41 -47.86 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -99.46 82.26 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -56.81 176.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 33.8 tt0 -113.12 128.14 56.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.9 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -115.17 161.64 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.43 147.06 17.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -93.97 167.95 11.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.8 mmtt -108.73 -45.3 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.517 ' OD1' HD21 ' A' ' 64' ' ' LEU . 13.9 t30 -64.79 -73.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -71.4 -35.98 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.96 13.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 84.7 mtt-85 -115.38 164.2 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.18 124.86 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.0 m-85 -133.91 158.96 42.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.7 p -94.81 140.43 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -29.58 -39.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.19 -50.18 65.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 98.2 m -77.93 -36.5 49.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -90.88 55.79 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -116.16 31.63 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -130.72 161.81 30.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.48 146.59 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -166.68 146.15 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.1 mt -54.25 118.6 4.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -102.24 121.37 50.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -12.94 33.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.665 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.9 mtm180 -81.8 -39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.88 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.76 42.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.26 47.6 16.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 p -116.32 139.93 49.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' N ' HD23 ' A' ' 45' ' ' LEU . 28.3 tt0 -71.27 79.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -95.43 159.8 14.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -66.4 110.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.5 m -118.81 163.02 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.2 p -74.62 159.0 32.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.28 -66.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.53 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 58.3 m -40.44 -55.12 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.6 t-80 -44.95 -36.44 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -85.37 -40.96 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -58.32 -45.14 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD21 ' OD1' ' A' ' 30' ' ' ASN . 12.4 mt -72.11 -10.24 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -114.68 -2.65 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -89.77 144.2 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -91.38 27.56 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.81 -40.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -123.74 -10.65 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.45 27.68 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' SG ' ' A' ' 15' ' ' CYS . 10.7 p -83.51 129.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -68.55 127.09 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.6 m-85 -69.68 107.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' LEU . 57.5 p -124.5 169.48 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.3 mp -34.97 -53.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -65.72 -42.17 91.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -104.35 102.72 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -72.68 160.5 32.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.9 tt0 -100.13 129.72 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.908 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.0 m-85 -117.42 162.11 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.512 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.86 145.59 16.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -93.6 167.23 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 46' ' ' VAL . 68.5 mmtt -110.4 -41.37 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.7 t30 -67.47 -74.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.9 -35.97 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.59 11.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 83.9 mtt180 -118.39 169.32 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.82 129.6 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.9 m-85 -137.11 160.58 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.82 140.91 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.6 t30 -30.89 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.08 -49.47 66.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.9 m -79.14 -37.37 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -90.1 56.37 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.7 p -115.21 32.13 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 12.0 m-85 -131.71 162.18 31.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.6 139.01 36.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.18 149.32 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 53' ' ' GLN . 10.1 mt -57.13 119.27 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 48' ' ' ARG . 20.9 t -104.18 122.44 44.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.15 36.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.554 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.1 mtt-85 -73.92 -42.35 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.31 -31.39 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.46 42.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 58.98 51.32 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLN . 17.9 p -120.87 133.22 55.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.496 ' N ' HD23 ' A' ' 45' ' ' LEU . 29.4 tt0 -62.51 78.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' THR . 17.6 mm-40 -94.6 158.22 15.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.92 112.43 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.8 m -120.27 160.84 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.24 156.15 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 11.0 tptm -36.36 -66.07 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.73 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.5 m -40.78 -54.64 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.2 t-80 -45.87 -35.73 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 m -85.76 -39.64 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -61.44 -37.33 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD21 ' OD1' ' A' ' 30' ' ' ASN . 11.7 mt -77.23 -14.33 59.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.0 p -108.26 -17.05 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' THR . 8.3 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -92.33 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -90.59 27.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.35 -41.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 p -125.14 -12.47 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.35 25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.8 p -80.36 121.55 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 4.9 ttpp -60.94 126.48 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.7 m-85 -69.6 132.97 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.524 ' OG1' ' CE2' ' A' ' 22' ' ' PHE . 41.4 p -145.71 176.95 9.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -44.68 -38.32 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE2' ' OG1' ' A' ' 20' ' ' THR . 0.1 OUTLIER -86.91 -38.37 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.6 67.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -46.39 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.1 tt0 -110.08 130.22 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.898 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.4 m-85 -114.85 160.94 18.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.33 146.23 16.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -93.67 166.88 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.6 mmtt -109.29 -42.36 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.483 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.2 t30 -66.41 -72.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -72.84 -36.51 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.61 44.89 10.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 79.3 mtt-85 -117.3 164.98 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.04 127.7 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.3 m-85 -136.21 159.68 41.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.29 140.61 29.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -30.43 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.56 -49.87 66.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.6 m -78.76 -37.25 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -90.15 55.86 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -116.74 32.6 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.7 m-85 -132.06 163.9 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -141.42 140.85 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.99 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.9 mt -54.13 120.62 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.9 t -103.64 124.76 36.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 3.66 2.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.721 ' H ' HG12 ' A' ' 46' ' ' VAL . 36.4 mtp180 -104.87 -30.72 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.99 34.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.14 48.56 38.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' O ' HD22 ' A' ' 45' ' ' LEU . 3.9 m120 43.27 53.03 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -111.64 141.69 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -70.36 84.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -101.46 160.24 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -66.32 110.73 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.485 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 25.5 m -118.53 160.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.8 p -72.65 155.83 39.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' CYS . 23.5 tptp -36.94 -66.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.558 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.04 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.7 m -40.94 -54.83 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.65 -33.95 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ARG . 40.2 m -86.03 -42.15 14.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -60.36 -42.04 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD21 ' OD1' ' A' ' 30' ' ' ASN . 24.1 mt -70.74 -19.75 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.0 p -102.03 -19.08 15.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.8 ptp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.99 149.12 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -92.58 25.53 3.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.71 -43.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -120.44 -12.14 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.34 26.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.511 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.5 p -79.97 142.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -78.62 130.92 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -78.77 122.18 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 74.7 p -140.82 -177.39 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -38.2 -62.6 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.7 -46.85 80.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -91.84 94.34 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -72.47 167.52 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.0 tt0 -103.52 129.27 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.934 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.9 m-85 -116.01 159.94 20.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.607 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.61 146.84 16.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.78 165.82 12.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.1 mmtt -107.64 -41.1 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.429 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.6 t30 -68.17 -73.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 p -72.28 -34.61 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.11 45.49 15.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 73.1 mtt-85 -117.03 168.6 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.92 127.38 35.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.5 m-85 -135.36 162.04 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.83 140.48 30.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -31.38 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.45 -48.2 71.01 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.7 m -79.28 -37.96 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.58 57.24 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.8 p -118.55 33.01 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.0 m-85 -132.01 160.64 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -136.71 140.76 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.92 152.67 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.3 124.06 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 48' ' ' ARG . 17.2 t -109.94 122.09 40.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.45 32.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.641 ' H ' HG12 ' A' ' 46' ' ' VAL . 41.8 mtp180 -80.77 -39.8 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.56 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.46 41.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.27 48.06 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 p -118.09 138.76 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -69.56 85.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -101.78 160.59 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.77 110.3 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.44 162.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -74.85 153.54 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' CYS . 10.5 tppt? -34.98 -65.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.34 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.8 m -41.48 -55.54 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.5 t-80 -46.63 -33.57 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.406 ' HA ' ' HG1' ' A' ' 65' ' ' THR . 22.6 m -87.56 -36.78 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.05 -42.05 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.429 HD21 ' OD1' ' A' ' 30' ' ' ASN . 22.2 mt -72.79 -16.97 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.406 ' HG1' ' HA ' ' A' ' 62' ' ' THR . 38.6 p -100.69 -24.42 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 9.3 mtp180 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.529 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.2 t -87.18 145.81 26.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -90.86 26.62 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.8 -41.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 9.8 p -121.91 -10.21 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.53 25.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.529 HG12 ' CB ' ' A' ' 12' ' ' CYS . 5.0 p -78.9 147.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 24.4 tttt -89.22 127.92 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 36.0 m-85 -72.93 132.52 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -142.15 -175.6 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -52.3 -43.26 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.09 -36.23 41.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -104.47 96.9 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -69.88 162.8 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 10.0 tm-20 -105.64 132.17 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.915 ' HB3' HD23 ' A' ' 40' ' ' LEU . 2.8 m-85 -113.95 161.47 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -126.79 146.88 16.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.82 160.48 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.625 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.6 mmtm -101.53 -44.24 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -64.06 -74.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -71.84 -34.36 69.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.61 45.51 17.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 88.9 mtt180 -115.9 166.96 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.56 124.98 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.6 m-85 -133.25 158.1 43.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' CYS . 17.5 p -93.75 147.85 22.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.2 -37.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.19 -38.38 95.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.9 m -88.76 -47.51 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -79.3 59.16 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 p -119.58 33.29 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 16.5 m-85 -133.8 158.64 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.78 137.19 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.94 149.05 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 120.21 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.5 t -103.73 122.29 45.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.175 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.4 3.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.724 ' H ' HG12 ' A' ' 46' ' ' VAL . 40.7 mtp180 -101.44 -35.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.8 22.22 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.55 50.24 4.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 41.96 52.93 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -114.62 137.96 51.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.44 89.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -106.75 160.49 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -67.06 105.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.0 m -112.28 167.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.8 p -80.01 154.64 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 13.4 tptm -35.45 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.7 tt0 -39.33 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.1 m -42.53 -53.86 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.69 -32.74 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 m -89.47 -38.38 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -62.98 -37.18 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.7 mt -76.93 -20.33 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 p -98.64 -21.78 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' CB ' HG12 ' A' ' 17' ' ' VAL . 30.3 t -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -92.06 27.36 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.61 -39.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.2 p -123.67 -10.31 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.86 27.05 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 12' ' ' CYS . 8.0 p -80.92 148.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -87.17 120.3 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 31.6 m-85 -64.64 113.46 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LYS . 50.2 p -134.88 172.74 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.543 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -37.17 -44.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.52 -38.69 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' THR . 17.6 tptt -107.29 97.72 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -68.47 164.48 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.74 133.62 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.922 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -123.09 162.24 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.87 146.7 16.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.22 166.55 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.7 mmtt -109.14 -41.45 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.435 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -67.64 -74.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -69.79 -35.39 74.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.97 44.3 12.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.4 mtt-85 -118.64 165.4 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.51 132.38 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.9 m-85 -139.51 159.45 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -94.37 147.38 23.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -38.51 -36.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.93 94.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.4 m -89.41 -46.74 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.15 59.64 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -120.72 35.41 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 19.7 m-85 -135.24 159.17 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.33 138.27 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.44 148.34 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.8 mt -54.94 121.12 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -107.08 121.93 43.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.94 37.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.5 mtp85 -76.01 -40.95 52.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.97 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.08 41.9 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.68 51.38 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.985 0.421 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 p -121.57 134.11 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 32.8 tt0 -63.37 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -98.16 157.04 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -65.16 108.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -116.15 165.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -77.29 155.32 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 9.0 tptm -36.2 -65.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.77 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.0 m -41.62 -53.45 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.8 t-80 -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' ARG . 85.7 m -86.61 -42.69 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -58.84 -41.08 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 30' ' ' ASN . 26.3 mt -73.33 -17.02 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -105.21 -15.78 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.5 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 35.6 mtm-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.5 t -93.45 145.02 24.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -91.54 28.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -125.28 -11.51 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.69 25.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG21 ' HE2' ' A' ' 23' ' ' LYS . 8.5 p -82.25 131.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 126.18 28.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.9 m-85 -69.39 115.23 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' LEU . 31.1 p -137.03 172.38 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -33.82 -53.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -68.59 -50.64 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.65 84.28 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -58.34 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 22.1 tt0 -111.79 130.35 55.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.953 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.4 m-85 -120.07 162.67 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.579 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.46 146.02 16.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -93.44 165.69 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.4 mmtt -109.21 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.3 t30 -68.96 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.2 p -70.13 -35.64 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.13 44.25 9.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 83.6 mtt180 -118.22 167.77 11.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 128.71 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.3 m-85 -135.56 157.92 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.2 p -92.23 147.91 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -39.23 -36.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.42 93.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.3 m -89.34 -47.34 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.953 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -79.56 59.29 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.4 p -119.22 34.65 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.8 m-85 -134.48 160.59 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 137.21 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.9 149.81 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.74 122.2 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -108.9 122.11 40.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.19 34.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.524 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.9 mtp180 -73.39 -37.35 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.16 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 54.8 47.99 21.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -118.92 134.98 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.87 87.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -104.14 158.36 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.46 107.97 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.8 m -115.79 163.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -75.95 154.18 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' CYS . 5.0 tppp? -35.14 -65.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.3 tt0 -39.6 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.0 m -41.65 -54.96 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.0 t-80 -46.93 -33.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -88.17 -35.0 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -66.53 -39.26 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -76.45 -13.07 60.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -105.45 -22.9 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 38.2 mtt180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 t -92.7 142.21 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 4.1 t80 -87.01 26.22 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.36 -38.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.3 p -127.87 -7.21 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 67.12 27.1 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.74 131.16 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -64.99 134.7 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 m-85 -78.99 121.84 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LEU . 38.5 p -145.99 170.68 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.2 mt -35.2 -45.76 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.48 -50.27 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -101.36 79.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.6 164.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 21.0 tt0 -106.27 125.81 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.848 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.7 m-85 -116.23 162.14 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.586 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.08 146.76 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.87 166.78 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.5 mmtt -111.58 -38.43 4.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.497 ' OD1' HD21 ' A' ' 64' ' ' LEU . 8.7 t30 -69.11 -72.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -71.29 -37.32 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.6 43.52 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 80.5 mtt180 -118.08 168.6 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.57 127.89 35.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.2 m-85 -136.37 155.19 50.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' GLY . 23.0 p -88.61 140.37 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -31.26 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.67 -48.95 62.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.1 m -79.12 -32.65 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -94.86 57.85 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -117.06 34.07 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.588 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.9 m-85 -132.18 159.71 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -136.62 143.91 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.96 152.67 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 53' ' ' GLN . 13.6 mt -58.18 124.38 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.6 t -110.83 122.2 38.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.676 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.1 mtp180 -83.02 -38.71 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.0 -33.53 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.22 40.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.05 48.53 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 p -118.89 135.54 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 tt0 -67.53 78.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -92.57 162.02 14.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -67.33 108.94 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -115.0 161.74 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.597 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.16 157.07 36.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 22.5 tptp -37.58 -65.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -40.08 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -39.36 -55.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.3 t-80 -45.24 -36.18 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.427 HG22 ' CD ' ' A' ' 66' ' ' ARG . 21.8 m -84.46 -40.01 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.3 mt -60.0 -51.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.0 mt -60.87 -47.4 86.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -68.86 -30.55 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' CD ' HG22 ' A' ' 62' ' ' THR . 14.9 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -92.55 144.5 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.68 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.7 -40.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.2 p -125.0 -12.06 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.98 25.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -79.74 121.29 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -63.55 128.81 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 22.8 m-85 -72.22 137.69 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 p -147.41 -176.18 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -50.46 -42.59 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -84.08 -32.04 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 17' ' ' VAL . 3.1 tppt? -103.56 87.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -64.51 160.91 18.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 59.4 tt0 -103.23 136.37 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.91 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.0 m-85 -120.27 161.36 21.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.561 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.83 146.59 16.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -96.78 159.66 14.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.9 mmtm -101.05 -42.94 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.6 t30 -64.37 -74.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 p -72.05 -35.65 69.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.09 46.31 10.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.6 mtt180 -117.39 167.56 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.868 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.26 124.19 33.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 76.9 m-85 -132.53 160.7 35.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -95.67 140.53 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -30.81 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.53 -49.11 72.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.9 m -79.34 -38.66 34.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.94 58.3 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -119.65 33.47 5.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.6 m-85 -132.26 162.6 30.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 140.3 41.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.1 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -53.45 122.66 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 48' ' ' ARG . 32.8 t -110.82 121.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -16.12 37.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 46' ' ' VAL . 25.2 mtp85 -77.97 -39.96 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.78 -29.1 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.46 44.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.08 49.41 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . 13.6 p -120.23 134.0 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.51 76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' THR . 25.6 mm-40 -93.86 160.62 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.22 113.6 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 m -120.72 164.25 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.4 p -75.91 156.29 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' CYS . 48.2 tptt -35.99 -66.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -39.99 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.2 m -40.42 -55.15 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.1 t-80 -45.16 -36.46 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ARG . 21.2 m -84.33 -43.86 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -57.11 -43.56 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.7 mt -73.5 -7.76 53.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.2 p -119.26 -3.12 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 29.5 mtm-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 t -93.47 141.11 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -87.6 28.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.61 -41.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 p -125.05 -8.35 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 68.3 28.25 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.6 p -83.08 124.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -61.91 131.02 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.46 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 33.2 m-85 -75.84 111.88 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LEU . 40.3 p -130.89 168.81 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.7 mp -32.55 -51.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -68.18 -45.06 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.3 tppt? -102.2 100.87 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 167.32 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -107.15 128.67 54.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.895 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.6 m-85 -117.29 161.87 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.24 146.12 16.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.9 164.07 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -107.34 -40.75 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.591 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.5 t30 -67.35 -74.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -70.56 -35.99 73.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 43.96 10.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.3 mtt180 -117.52 165.17 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.36 128.18 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.8 m-85 -135.48 160.32 38.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 38' ' ' GLY . 16.8 p -94.86 140.56 29.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 2.9 t30 -31.22 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.87 -48.93 71.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.8 m -79.61 -38.59 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.895 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.36 55.8 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -115.5 29.54 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 14.4 m-85 -127.64 163.63 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.94 149.27 47.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.04 146.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 53' ' ' GLN . 15.1 mt -57.11 123.73 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -105.14 124.74 35.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.71 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.3 mtt85 -104.98 -30.06 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.05 31.43 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.16 43.19 33.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 45' ' ' LEU . 5.5 m120 46.54 52.75 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 p -111.99 139.01 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.614 ' N ' HD23 ' A' ' 45' ' ' LEU . 16.8 tt0 -65.92 81.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -99.11 161.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.44 113.87 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.514 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -120.56 159.77 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -72.66 154.68 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.4 tptm -36.15 -65.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.492 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.52 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.1 m -40.25 -55.88 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.8 t-80 -44.45 -33.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -88.21 -38.07 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 mt -60.93 -49.08 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.1 mt -63.12 -46.11 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -69.4 -32.04 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t -88.04 144.04 26.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -90.86 28.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.91 -41.87 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.6 p -124.08 -10.63 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.07 25.17 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.3 127.69 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.52 135.11 55.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.0 m-85 -80.66 129.43 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 p -150.21 176.29 10.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.9 mt -38.71 -44.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -78.13 -53.23 7.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' HG11 ' A' ' 17' ' ' VAL . 19.1 tptt -92.48 80.36 4.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.27 174.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 32.8 tt0 -115.0 131.08 57.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.906 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.8 m-85 -118.16 161.8 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.569 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.25 146.45 16.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -94.35 166.59 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -109.94 -41.27 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -66.96 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.57 -37.1 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.81 44.39 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.1 mtt180 -118.12 166.29 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.28 129.79 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.7 m-85 -137.89 156.52 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -92.0 146.26 23.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -37.42 -35.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -39.14 94.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.9 m -88.72 -43.13 11.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.906 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -83.74 58.15 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -118.45 34.33 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 9.7 m-85 -133.85 162.02 33.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.11 143.59 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.783 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.19 148.65 8.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.9 mt -55.17 123.1 12.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.2 t -107.57 126.62 29.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 5.35 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.7 ' H ' HG12 ' A' ' 46' ' ' VAL . 26.2 mtp180 -110.71 -30.26 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.95 29.75 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 52' ' ' THR . . . 71.02 50.16 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 5.8 p-10 44.29 54.99 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' GLY . 75.9 p -125.06 145.5 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' N ' HD23 ' A' ' 45' ' ' LEU . 34.9 tt0 -72.39 96.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -110.09 162.56 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.96 111.75 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 30.6 m -119.81 159.36 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -71.69 154.1 41.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' CYS . 26.9 tptt -35.51 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.25 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.2 m -41.01 -55.02 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 5.5 t-80 -45.84 -35.12 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -87.35 -36.19 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.71 -47.68 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -64.24 -46.94 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -68.25 -34.68 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -115.01 42.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.356 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -159.88 151.13 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.13 41.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -132.26 93.24 3.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -91.96 145.39 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.29 76.25 0.38 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.78 104.47 16.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 45.0 mt-10 -100.64 -174.02 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 m -58.53 102.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 25.9 mtt180 -120.0 -175.92 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.7 143.0 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -90.25 26.09 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.22 -40.29 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -122.88 -10.61 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.45 26.92 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.38 140.0 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 8.0 ttpp -78.82 132.64 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.7 m-85 -76.81 121.55 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.473 ' CG2' ' HE3' ' A' ' 18' ' ' LYS . 39.6 p -140.96 175.48 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.57 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -40.05 -42.83 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.81 -42.35 34.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -104.58 95.69 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.39 162.45 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 19.9 tt0 -102.71 133.15 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.951 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -120.62 161.55 21.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.54 145.24 15.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -92.88 167.16 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.31 -42.4 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.1 t30 -67.21 -74.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -70.24 -33.03 71.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.41 23.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 84.9 mtt180 -116.17 170.12 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.76 129.01 36.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.67 163.58 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.9 p -98.65 141.26 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -31.58 -36.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.57 -48.89 68.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' CYS . 86.0 m -79.31 -40.78 29.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -85.46 58.76 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -120.11 32.55 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.2 m-85 -131.45 157.25 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -133.46 137.1 45.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.52 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD23 ' CA ' ' A' ' 53' ' ' GLN . 6.7 mt -56.16 120.18 7.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 48' ' ' ARG . 23.9 t -104.38 123.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.12 4.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.728 ' H ' HG12 ' A' ' 46' ' ' VAL . 44.7 mtp180 -99.78 -33.77 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.18 26.27 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.89 23.86 54.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.25 50.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -115.02 141.52 47.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' CA ' HD23 ' A' ' 45' ' ' LEU . 10.1 tt0 -65.09 85.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -101.26 157.98 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -65.35 109.73 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.509 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 34.4 m -117.07 164.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -76.35 153.57 35.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.5 tptm -34.78 -65.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.54 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.4 m -41.76 -55.0 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -45.65 -33.72 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.4 m -87.98 -40.56 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -60.52 -38.41 78.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.405 HD21 ' OD1' ' A' ' 30' ' ' ASN . 27.3 mt -75.62 -19.68 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.8 p -101.01 -18.59 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' THR . 20.2 ptt180 -81.61 -37.24 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.57 79.12 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.9 p -42.9 155.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 m -127.85 43.53 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -134.67 177.0 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -130.53 43.64 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.19 91.32 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.9 p -175.03 173.27 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' TRP . 3.7 mptt -46.98 173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.6 t90 -35.55 120.45 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.8 p -104.44 148.05 35.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.98 25.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.8 Cg_endo -69.72 130.84 20.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.477 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 16.8 pt20 -34.4 -40.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -95.72 97.2 9.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -100.2 -61.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.9 144.2 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.7 m -46.32 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.86 -172.06 44.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 86' ' ' SER . 54.3 Cg_endo -69.71 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 85' ' ' PRO . 74.1 m -32.09 116.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -84.79 174.73 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' HA2' ' CB ' ' A' ' 79' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -124.61 131.73 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -98.04 -12.8 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.08 96.42 0.63 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -105.93 158.59 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -75.19 109.07 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.46 55.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 mmt -129.91 40.67 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.69 170.58 7.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 p -38.91 113.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.1 mtm180 -113.15 -175.52 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.0 t -92.16 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 2.7 t80 -90.35 27.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.43 -43.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' SG ' HG12 ' A' ' 17' ' ' VAL . 24.0 p -121.41 -9.92 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.4 27.71 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 15' ' ' CYS . 9.9 p -84.59 136.92 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -71.69 124.63 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 32.2 m-85 -66.72 107.07 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -126.44 171.82 10.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -34.61 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -65.82 -42.96 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.19 81.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -58.05 173.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -108.59 130.97 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.931 ' HB3' HD23 ' A' ' 40' ' ' LEU . 9.9 m-85 -120.08 162.57 19.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.07 143.54 14.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -91.15 165.56 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.2 mmtt -107.33 -42.5 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 12.0 t30 -67.23 -74.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -69.91 -34.68 73.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.19 44.93 16.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 87.1 mtt180 -116.76 168.98 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.06 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.0 m-85 -137.47 160.53 38.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.53 141.52 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 4.2 t-20 -31.84 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.18 -48.45 69.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 84.2 m -79.11 -39.91 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.07 53.58 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.0 p -114.22 30.19 7.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.3 m-85 -128.86 162.89 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.55 147.5 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -169.27 153.13 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.97 120.76 10.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.736 HG12 ' H ' ' A' ' 48' ' ' ARG . 35.9 t -102.14 124.84 38.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 3.49 2.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.736 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.5 mtp180 -103.69 -33.53 8.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.97 33.55 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.84 37.91 65.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 55.21 54.44 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -112.35 134.73 53.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -63.35 79.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -98.36 162.08 13.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -66.54 114.33 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.519 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.4 m -121.9 162.09 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -75.82 153.99 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 19.8 tptp -34.56 -65.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.62 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.9 m -42.35 -53.51 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -48.03 -33.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -88.75 -35.64 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.86 -37.28 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.8 mt -77.54 -15.44 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 p -103.32 -21.95 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -76.43 -30.82 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.98 -111.59 2.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.8 p -165.51 153.48 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.7 m -107.08 143.26 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -48.52 149.63 1.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.09 81.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.5 87.31 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m -165.16 173.53 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -96.6 98.6 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -138.07 116.16 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -96.51 142.64 24.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.82 65.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.226 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.12 3.92 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -42.07 -50.95 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -161.24 134.98 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -149.72 121.48 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -88.26 114.21 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.5 p -155.07 175.31 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.7 143.97 22.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 145.46 57.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.365 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 t -133.6 123.69 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.815 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.9 m -51.19 163.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.481 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -123.54 96.44 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -58.57 175.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.66 154.78 45.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -68.75 -56.06 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -136.23 154.73 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.49 -113.8 3.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.14 140.7 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.4 -61.42 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m -104.56 106.16 16.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 24.9 mtm180 -118.12 -176.15 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.3 t -91.81 142.52 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -89.04 26.03 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.84 -39.82 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 17' ' ' VAL . 22.7 p -126.24 -9.79 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 70.46 27.82 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 12.3 p -84.34 127.31 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -63.53 134.6 55.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 38.7 m-85 -77.98 126.68 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 70.5 p -143.81 174.77 10.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.6 mp -38.01 -54.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.82 -46.86 67.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -97.79 81.23 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.66 172.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -110.8 129.64 55.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.914 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.3 m-85 -116.2 162.15 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.08 144.86 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.97 166.24 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.5 mmtt -108.83 -41.91 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.4 t30 -67.13 -74.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.7 p -70.35 -33.84 71.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.84 44.64 19.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.9 mtt180 -116.1 171.58 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.97 128.33 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.6 m-85 -137.05 160.22 39.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.2 p -95.71 141.45 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -31.15 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.49 -50.59 58.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.8 m -77.58 -38.3 48.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.914 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.3 54.0 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 p -113.97 31.88 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.8 m-85 -132.02 158.51 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.61 137.1 39.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.24 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.81 119.83 6.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG12 ' H ' ' A' ' 48' ' ' ARG . 19.0 t -102.68 123.75 41.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.171 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.88 4.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.69 ' H ' HG12 ' A' ' 46' ' ' VAL . 46.1 mtp180 -101.36 -30.95 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.48 27.9 4.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.65 40.84 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m120 51.36 52.15 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -114.37 137.56 51.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.3 92.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -108.95 161.77 14.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -67.72 106.8 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.533 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -114.52 163.73 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -76.82 153.55 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 57' ' ' CYS . 4.2 tppp? -34.67 -65.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.8 tt0 -39.53 -73.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.0 m -42.77 -52.56 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 1.8 t-80 -47.74 -33.01 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -89.75 -36.27 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -64.86 -34.79 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' OD1' ' A' ' 30' ' ' ASN . 15.1 mt -80.33 -16.79 53.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -102.69 -17.94 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -80.19 -31.78 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' SER . . . -110.31 -104.75 2.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' GLY . 45.6 m 34.58 41.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.818 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -102.25 105.56 16.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -48.8 125.36 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -162.0 165.76 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.61 167.01 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t -85.68 71.37 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.52 133.37 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -167.15 123.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -123.29 140.12 33.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' GLN . 53.3 Cg_endo -69.75 155.85 64.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 16.32 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.9 mt-30 68.08 43.2 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -123.76 -44.15 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -75.57 160.12 30.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -99.51 112.4 24.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -58.41 167.13 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.99 89.71 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.2 3.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.1 p -122.98 100.45 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -126.01 113.09 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.444 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -72.09 -50.6 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -153.09 134.66 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.04 150.05 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -63.96 130.83 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -40.28 -60.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.58 -162.17 17.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.48 109.79 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.14 -54.85 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m -110.78 104.1 12.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 23.3 mtm180 -118.23 -176.14 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -92.05 142.92 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -89.36 25.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.71 -39.87 0.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 13.7 p -123.89 -11.02 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.98 27.09 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.9 p -82.56 137.42 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -74.76 122.19 22.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.0 m-85 -64.94 102.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.2 p -123.02 173.62 7.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.3 mp -35.53 -51.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -68.02 -46.81 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -100.27 105.88 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -75.22 166.87 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.9 tt0 -104.93 129.24 53.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.3 m-85 -121.43 163.09 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.8 146.73 17.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.14 158.81 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' HG21 ' A' ' 46' ' ' VAL . 31.1 mmtm -100.25 -43.35 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.567 ' OD1' HD21 ' A' ' 64' ' ' LEU . 7.6 t30 -64.59 -75.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -70.42 -36.01 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.89 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 86.5 mtt-85 -117.34 165.67 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.05 125.59 34.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.3 m-85 -132.69 162.29 31.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.7 p -96.5 141.23 30.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.1 t30 -32.06 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.69 -48.44 67.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 89.7 m -79.75 -39.07 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.04 58.89 5.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 30.13 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 7.6 m-85 -129.22 160.61 32.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -138.55 138.83 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.74 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.049 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 53' ' ' GLN . 8.9 mt -57.17 117.69 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.4 t -103.55 122.35 45.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.643 0.735 . . . . 0.0 111.149 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.13 37.44 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.3 mtt-85 -75.72 -41.62 52.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -28.84 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.83 46.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 53.84 49.47 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLN . 16.5 p -119.17 132.29 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.509 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -61.89 77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 20.3 mm-40 -92.14 160.29 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -68.85 112.9 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.534 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.7 m -119.88 165.62 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -79.07 156.54 28.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 19.4 tptp -36.32 -66.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -40.02 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 55.6 m -41.87 -54.09 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -46.01 -34.41 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ARG . 17.7 m -87.1 -43.49 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -57.33 -41.55 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.5 mt -72.32 -20.63 61.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -101.61 -13.74 17.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 67' ' ' GLY . 4.8 ptm180 -93.02 3.14 56.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 66' ' ' ARG . . . -31.78 101.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -75.91 -32.13 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -62.48 101.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -119.12 -45.55 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -68.25 156.64 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 54.06 41.39 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -111.36 -54.5 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.48 100.8 9.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 60.2 t90 -162.55 148.67 12.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.8 p -134.25 142.51 43.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.492 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.6 Cg_endo -69.78 153.29 69.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.23 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.83 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -71.3 -52.8 16.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -96.11 91.23 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -94.94 -48.85 5.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 83' ' ' SER . 0.1 OUTLIER -107.94 -25.86 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.7 t 35.03 41.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.76 155.81 27.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.78 114.39 3.69 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.3 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' PRO . 3.4 t 34.48 42.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.0 m -116.63 134.67 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.543 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -97.38 90.11 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 91.37 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.14 178.67 50.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -62.26 100.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.376 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -91.27 86.19 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.8 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.55 45.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 mtt -92.45 96.26 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.687 0.28 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.18 -178.28 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 67.3 m -57.5 104.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 58.4 mtt180 -110.79 -175.72 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' CB ' HG12 ' A' ' 17' ' ' VAL . 38.2 t -89.93 144.19 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.76 25.35 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.97 -41.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.5 p -122.46 -10.07 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.39 26.75 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 12' ' ' CYS . 9.3 p -80.43 146.65 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -83.15 130.57 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.7 m-85 -75.12 126.12 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LEU . 48.5 p -146.6 171.85 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.4 mp -35.22 -51.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.35 -50.06 36.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -95.67 81.86 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -56.88 172.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.554 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.7 tt0 -110.85 130.59 55.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.928 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.7 m-85 -116.18 161.7 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.554 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.92 145.63 16.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.469 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.51 166.26 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -109.02 -41.37 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.473 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.1 t30 -67.51 -74.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.0 p -70.27 -35.56 73.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.05 44.21 12.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.5 mtt-85 -117.41 166.89 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.87 129.55 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.2 m-85 -137.15 161.84 35.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.0 p -96.81 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.7 t30 -30.42 -37.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.91 -49.35 68.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . 91.5 m -78.83 -37.7 39.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.928 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.78 57.77 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -118.14 33.63 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.1 m-85 -133.5 161.56 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -138.97 138.52 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.28 149.13 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 53' ' ' GLN . 14.0 mt -54.25 121.1 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.6 t -106.31 124.51 35.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.43 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.727 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtp-105 -108.96 -28.88 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 25.09 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 52' ' ' THR . . . 75.95 50.33 7.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 6.0 p-10 43.1 54.96 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 50' ' ' GLY . 63.5 p -127.07 145.04 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' N ' HD23 ' A' ' 45' ' ' LEU . 11.4 tt0 -71.82 102.89 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -116.24 160.8 19.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -65.82 106.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -115.01 161.91 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.0 p -73.69 154.51 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' CYS . 3.9 tppp? -35.8 -65.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.3 -74.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.3 m -41.1 -55.85 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.3 t-80 -44.97 -34.04 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 66' ' ' ARG . 19.9 m -88.18 -37.6 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.473 HD11 ' NE2' ' A' ' 59' ' ' GLN . 1.2 mt -62.84 -39.36 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD21 ' OD1' ' A' ' 30' ' ' ASN . 16.4 mt -75.03 -19.57 59.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.6 p -99.35 -21.16 16.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.8 ptt85 -76.51 -30.95 57.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.02 -105.46 2.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.93 161.35 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m -105.61 152.25 23.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.62 178.56 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -64.04 154.17 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.06 171.37 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -72.19 84.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 75' ' ' TRP . 11.7 tmtt? -97.49 149.26 22.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 79.4 t90 -33.92 116.04 0.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -92.54 134.79 27.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.714 0.769 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 54.0 Cg_endo -69.72 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 79' ' ' GLN . 53.5 Cg_endo -69.82 -165.4 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 80' ' ' ASN . 9.7 tm0? -44.39 170.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 79' ' ' GLN . 95.1 m-20 -30.66 -43.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 20.5 t80 38.61 30.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 80' ' ' ASN . 3.0 mtpm? -151.82 178.07 9.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -91.19 -41.76 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -127.94 83.64 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.48 41.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.9 p -162.33 143.8 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 t -150.72 164.31 36.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -103.26 143.6 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -91.41 135.39 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 -113.74 6.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -55.24 157.1 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -140.72 167.47 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.05 118.62 2.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 tpp -68.82 93.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.4 mm-40 -82.31 -173.96 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.7 m -58.72 109.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 39.8 mtt180 -124.91 -177.42 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -89.83 147.77 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -93.53 27.68 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.05 -42.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 p -120.01 -10.99 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.47 26.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.4 141.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 139.78 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 35.7 m-85 -85.3 128.68 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -142.27 173.73 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.6 mp -41.67 -42.11 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -77.24 -41.77 39.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 99.49 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -68.67 160.24 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 8.8 tm-20 -104.87 133.3 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.5 m-85 -115.2 161.03 19.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.56 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.73 146.0 16.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -93.82 165.97 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.6 mmtt -108.98 -41.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.0 t30 -67.03 -74.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.97 -35.1 74.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.4 45.09 11.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 82.7 mtt180 -117.75 170.41 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 128.54 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.64 158.6 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLY . 21.3 p -93.83 141.47 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -31.38 -37.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.84 -49.93 64.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' CYS . 95.0 m -78.23 -39.14 41.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -87.66 59.46 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 p -119.79 33.85 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 15.6 m-85 -133.77 159.56 40.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -136.74 137.99 40.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.32 148.03 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.2 mt -54.57 121.32 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.1 t -106.76 121.9 43.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.63 37.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.0 mtp180 -75.78 -38.52 58.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.28 -30.4 25.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.42 41.84 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.49 50.65 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -120.31 133.54 55.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' HD23 ' A' ' 45' ' ' LEU . 13.9 tt0 -63.48 81.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -98.16 158.16 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -65.34 110.57 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.51 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.46 162.52 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.89 154.62 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 21.0 tptp -35.73 -65.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.6 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.9 m -41.56 -55.59 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 t-80 -46.29 -32.92 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' ARG . 39.9 m -87.05 -42.35 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.515 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -59.99 -40.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD21 ' OD1' ' A' ' 30' ' ' ASN . 59.2 mt -72.07 -20.34 61.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 p -102.02 -16.54 16.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' THR . 6.9 ptp180 -83.45 -38.85 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.6 64.58 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -101.97 167.72 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -45.03 120.49 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -154.88 167.58 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.76 132.08 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 132.01 54.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -154.12 143.72 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -70.11 123.86 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -138.0 119.62 15.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.2 p -106.16 154.2 39.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.641 0.734 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 135.29 30.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 178.86 4.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.74 2.293 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' ASN . 8.8 mt-30 -76.47 -42.97 41.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' GLN . 2.8 t-20 -34.57 -56.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 80' ' ' ASN . 11.2 t80 -35.36 146.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -57.88 133.32 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -172.87 172.78 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.39 -160.24 30.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.86 3.4 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t 71.25 42.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.8 p -94.52 146.5 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.54 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -97.02 122.24 39.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -83.35 118.33 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.07 82.94 0.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -144.89 169.7 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.51 154.32 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.96 145.26 9.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.61 89.05 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.91 -176.35 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -59.12 104.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 13.2 mtp180 -120.63 -178.76 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.61 141.97 28.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.4 t80 -86.34 25.34 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.56 -41.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 16.5 p -123.9 -12.11 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.63 25.14 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.59 127.42 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -76.23 117.39 17.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.9 p -134.05 175.28 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -40.49 -46.99 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -72.98 -41.41 64.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -104.31 98.71 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -68.21 168.86 11.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 17.3 tt0 -109.9 132.09 54.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.904 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.5 m-85 -118.42 161.94 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.575 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.72 146.36 16.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -94.3 167.04 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.2 mmtt -109.54 -42.17 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 11.9 t30 -66.87 -74.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.21 -35.65 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.01 44.14 12.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 82.6 mtt-85 -117.36 168.16 10.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.15 128.99 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.6 m-85 -136.42 161.19 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.2 p -96.25 139.86 31.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -30.01 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -62.75 -49.48 72.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.1 m -79.16 -38.14 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.84 58.39 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.6 p -119.08 34.07 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 19.1 m-85 -133.66 158.18 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -135.77 138.17 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.33 149.57 19.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -53.61 122.1 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -107.33 122.85 39.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.25 35.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.538 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.6 mtp180 -73.72 -38.46 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.56 -26.52 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 51' ' ' ASN . . . 124.94 53.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 4.0 p-10 48.08 53.69 11.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.7 p -122.14 135.03 54.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.98 84.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -102.8 156.78 17.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -63.24 108.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.8 m -117.12 160.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -72.53 153.74 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 36.1 tptt -35.24 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.5 tt0 -39.37 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -41.01 -56.84 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.9 t-80 -44.35 -33.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' ARG . 20.9 m -87.87 -39.07 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.1 mt -62.45 -37.42 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -77.23 -15.92 59.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.967 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.9 p -104.9 -19.26 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' THR . 2.7 ptm180 -76.94 -31.99 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.47 -99.95 2.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 m -173.99 151.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ASP . 13.4 t -57.27 143.93 37.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 5.2 t70 -34.94 103.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -45.89 104.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.39 -42.64 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -51.57 139.73 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -104.2 117.48 34.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -128.21 136.6 51.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -133.58 151.82 77.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 165.95 29.23 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.38 53.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.22 -23.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -127.18 87.07 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -101.04 40.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 1.3 tmmm? -151.61 125.64 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.1 p -169.87 133.02 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.26 -139.21 10.75 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 90.01 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 p -67.83 -53.01 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.7 m -86.77 85.91 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.461 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -99.92 106.28 18.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.7 m -147.79 112.47 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.25 46.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -48.25 -45.6 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -130.63 144.76 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.64 -153.38 28.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 8' ' ' MET . 6.2 ptm -88.75 83.64 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -95.05 -61.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -115.52 101.42 8.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 18.6 mtt180 -121.32 -179.07 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -89.74 143.65 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.493 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -90.59 25.91 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.54 -39.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -125.23 -13.39 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.42 25.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.701 HG21 ' HE3' ' A' ' 23' ' ' LYS . 9.2 p -81.43 122.89 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -62.03 128.4 35.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -71.88 122.76 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.3 p -139.53 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.187 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.6 mt -41.65 -43.73 2.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -78.53 -35.16 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.701 ' HE3' HG21 ' A' ' 17' ' ' VAL . 7.0 tppt? -108.26 94.25 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 165.77 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 42.3 tt0 -107.02 129.88 54.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.902 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.2 m-85 -117.97 161.74 19.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.589 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.09 146.4 16.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.38 165.65 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.4 mmtt -108.77 -40.74 4.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.47 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.9 t30 -67.51 -72.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.3 -36.44 68.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.32 44.72 9.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 87.6 mtt-85 -117.77 166.63 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.8 126.85 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.4 m-85 -134.43 160.1 39.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -94.53 140.53 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.4 t30 -31.13 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.06 -49.14 69.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 94.1 m -78.99 -38.89 35.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -87.98 59.93 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.6 p -120.8 33.02 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.1 m-85 -132.35 161.0 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.93 141.36 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.69 145.48 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 51' ' ' ASN . 11.7 mt -52.08 121.37 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.9 t -103.64 123.28 41.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.576 0.703 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.701 ' H ' HG12 ' A' ' 46' ' ' VAL . 24.1 mtp180 -102.6 -30.46 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.85 28.28 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 47.63 8.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.6 m-20 43.93 51.12 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -109.96 139.54 44.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.0 tt0 -66.62 89.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -106.92 158.12 17.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -65.65 108.79 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.495 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 29.9 m -116.14 161.39 14.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.5 p -72.62 154.75 40.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 34.6 tptt -36.01 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.6 tt0 -39.51 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.7 m -39.03 -56.16 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 6.3 t-80 -44.93 -35.64 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' GLN . 21.2 m -85.74 -36.98 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.0 mt -61.53 -51.36 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.4 mt -59.78 -49.39 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -65.64 -36.27 83.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -60.89 -62.15 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.32 116.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.9 p -150.2 150.0 30.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -48.65 126.49 11.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -118.93 152.05 37.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -57.91 153.87 13.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 169.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -125.7 168.71 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -84.92 140.86 30.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -86.43 135.72 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -140.65 150.27 59.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.693 0.759 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.42 68.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.91 67.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -64.93 160.46 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 56.39 49.74 14.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -90.24 172.69 8.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -81.82 -56.39 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.8 p -101.13 109.04 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.17 -173.56 44.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 157.0 61.94 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.406 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.0 t -98.47 118.85 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.7 p -117.09 172.94 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -43.12 -48.53 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -127.86 171.07 12.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.7 50.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -132.0 158.92 40.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -53.09 168.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.46 -46.53 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt 39.99 37.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.735 0.302 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -85.21 -176.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 p -57.71 109.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 42.9 mtt180 -117.99 -175.43 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 t -92.59 141.44 28.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.47 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.1 t80 -88.21 27.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.57 -41.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 18.5 p -124.8 -11.97 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.97 25.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -80.96 125.58 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.44 132.55 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 32.5 m-85 -76.21 127.46 32.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 21' ' ' LEU . 62.4 p -147.08 170.65 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.5 mp -33.94 -53.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.52 -47.0 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -97.33 81.84 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -57.6 171.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 56.3 tt0 -110.77 131.67 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.938 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.5 m-85 -117.58 162.13 18.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.06 145.84 16.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.29 164.36 13.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.3 mmtt -107.35 -40.12 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.3 t30 -68.13 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.1 p -70.49 -35.11 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.99 44.28 12.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.8 mtt180 -117.25 168.48 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.88 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 81.6 m-85 -136.18 161.5 35.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -96.07 140.73 30.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.1 t30 -31.22 -37.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.33 -48.83 70.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.9 m -79.26 -38.94 34.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.4 60.78 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.0 p -120.22 34.01 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.809 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -134.01 163.27 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.38 140.88 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.1 153.19 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.4 mt -57.44 122.38 12.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 48' ' ' ARG . 22.0 t -108.74 121.51 42.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.163 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -17.97 37.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.28 . . . . 0.0 112.379 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' H ' HG12 ' A' ' 46' ' ' VAL . 14.6 mtp180 -75.87 -37.33 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.94 -30.26 21.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.76 49.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m120 50.61 48.22 22.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 p -118.46 131.81 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.8 tt0 -63.84 89.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -106.09 160.89 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.03 109.24 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.2 m -116.95 162.01 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.08 154.01 39.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 40.8 tptt -35.0 -65.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.4 tt0 -39.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 48.6 m -40.07 -54.54 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.2 t-80 -47.08 -35.07 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' GLN . 38.7 m -85.76 -38.04 18.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.24 -50.59 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.3 mt -61.21 -41.75 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.1 p -74.18 -31.4 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -69.43 -64.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.33 61.06 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.8 m -128.52 40.33 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -80.73 -56.11 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.78 116.08 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -78.61 97.9 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.21 130.17 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -74.25 133.43 42.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.79 152.04 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.605 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 1.6 p-90 -135.97 146.94 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.7 p -107.95 111.63 62.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.78 170.4 16.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -167.46 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -46.85 174.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 1.2 p30 -41.5 138.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 15.7 m-85 -167.26 -175.86 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 102.35 8.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 t -47.74 134.62 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.0 -140.86 3.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.74 2.16 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.381 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.0 p -118.7 178.61 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.6 m 54.87 42.01 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.46 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -98.74 103.75 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 p -132.76 162.43 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.71 95.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -70.5 95.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.1 -94.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtt -122.49 132.41 54.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' SER . 3.8 mp0 -63.86 176.19 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' GLU . 13.5 m -36.77 112.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -108.72 179.17 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.64 145.83 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.21 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.28 -42.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.587 ' SG ' HG12 ' A' ' 17' ' ' VAL . 27.0 p -123.06 -10.65 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.65 26.09 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG12 ' SG ' ' A' ' 15' ' ' CYS . 11.7 p -81.82 125.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -60.96 132.08 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 41.5 m-85 -77.11 123.15 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 21' ' ' LEU . 43.5 p -142.59 169.51 17.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.0 mp -32.75 -52.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -69.41 -47.86 62.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -99.46 82.26 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -56.81 176.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 33.8 tt0 -113.12 128.14 56.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.9 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -115.17 161.64 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.43 147.06 17.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 t -93.97 167.95 11.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.8 mmtt -108.73 -45.3 3.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.517 ' OD1' HD21 ' A' ' 64' ' ' LEU . 13.9 t30 -64.79 -73.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -71.4 -35.98 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.71 44.96 13.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 84.7 mtt-85 -115.38 164.2 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.18 124.86 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.0 m-85 -133.91 158.96 42.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 17.7 p -94.81 140.43 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.7 t30 -29.58 -39.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.19 -50.18 65.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 98.2 m -77.93 -36.5 49.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -90.88 55.79 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -116.16 31.63 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.8 m-85 -130.72 161.81 30.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.48 146.59 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -166.68 146.15 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.1 mt -54.25 118.6 4.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -102.24 121.37 50.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -12.94 33.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.665 ' H ' HG12 ' A' ' 46' ' ' VAL . 9.9 mtm180 -81.8 -39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.88 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.76 42.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.26 47.6 16.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 p -116.32 139.93 49.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' N ' HD23 ' A' ' 45' ' ' LEU . 28.3 tt0 -71.27 79.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -95.43 159.8 14.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -66.4 110.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.5 m -118.81 163.02 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.2 p -74.62 159.0 32.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -39.28 -66.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.53 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 58.3 m -40.44 -55.12 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.6 t-80 -44.95 -36.44 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -85.37 -40.96 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -58.32 -45.14 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD21 ' OD1' ' A' ' 30' ' ' ASN . 12.4 mt -72.11 -10.24 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -114.68 -2.65 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 67' ' ' GLY . 18.5 ptt180 -98.15 -39.74 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' C ' ' A' ' 68' ' ' SER . . . -150.73 38.69 0.86 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 67' ' ' GLY . 79.7 p -30.31 106.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.839 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.8 p -121.5 128.85 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -134.67 45.97 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -98.55 45.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.79 115.74 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 74' ' ' LYS . 29.3 p -50.44 -45.86 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 73' ' ' SER . 55.8 mttt -159.59 119.34 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -134.6 138.52 44.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 p -125.77 153.39 73.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.65 69.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.265 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 178.88 4.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -42.19 -46.61 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.27 -178.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 62.82 43.63 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.98 -49.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -38.61 -43.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.95 150.25 3.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.81 69.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.2 t -135.77 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' SER . 25.7 t -35.04 -46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.483 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -81.8 43.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -99.15 120.91 40.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.89 -127.99 1.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 44.7 t -85.85 99.56 11.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 11.6 t -37.02 149.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.71 98.51 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mmm -92.29 84.2 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.707 0.289 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -97.6 176.02 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 57.9 m -51.06 105.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -108.81 -176.52 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -89.77 144.2 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -91.38 27.56 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.81 -40.98 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 19.0 p -123.74 -10.65 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 71.45 27.68 3.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG12 ' SG ' ' A' ' 15' ' ' CYS . 10.7 p -83.51 129.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -68.55 127.09 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 34.6 m-85 -69.68 107.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' LEU . 57.5 p -124.5 169.48 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.3 mp -34.97 -53.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -65.72 -42.17 91.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -104.35 102.72 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -72.68 160.5 32.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 47.9 tt0 -100.13 129.72 46.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.908 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.0 m-85 -117.42 162.11 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.512 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.86 145.59 16.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -93.6 167.23 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 46' ' ' VAL . 68.5 mmtt -110.4 -41.37 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.7 t30 -67.47 -74.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.9 -35.97 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.59 11.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 83.9 mtt180 -118.39 169.32 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.82 129.6 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 82.9 m-85 -137.11 160.58 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.82 140.91 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 1.6 t30 -30.89 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -64.08 -49.47 66.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.9 m -79.14 -37.37 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -90.1 56.37 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.7 p -115.21 32.13 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' A' ' 58' ' ' LYS . 12.0 m-85 -131.71 162.18 31.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -139.6 139.01 36.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.18 149.32 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 53' ' ' GLN . 10.1 mt -57.13 119.27 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 48' ' ' ARG . 20.9 t -104.18 122.44 44.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.15 36.25 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.554 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.1 mtt-85 -73.92 -42.35 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.31 -31.39 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.46 42.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 58.98 51.32 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' GLN . 17.9 p -120.87 133.22 55.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.496 ' N ' HD23 ' A' ' 45' ' ' LEU . 29.4 tt0 -62.51 78.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' THR . 17.6 mm-40 -94.6 158.22 15.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.92 112.43 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 28.8 m -120.27 160.84 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.24 156.15 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.586 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 11.0 tptm -36.36 -66.07 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.3 tt0 -39.73 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.5 m -40.78 -54.64 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.2 t-80 -45.87 -35.73 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 m -85.76 -39.64 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -61.44 -37.33 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD21 ' OD1' ' A' ' 30' ' ' ASN . 11.7 mt -77.23 -14.33 59.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.0 p -108.26 -17.05 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' THR . 8.3 ptm180 -80.74 -38.73 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' ARG . . . 34.08 59.18 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.3 p -134.01 -33.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.819 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -76.15 -44.34 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.36 127.72 56.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -88.64 138.48 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 123.57 20.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -106.25 111.5 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -74.4 -176.89 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.478 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -159.79 162.98 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.3 t -88.61 131.91 40.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.72 52.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 159.25 54.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -43.85 -55.49 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -95.29 114.7 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -127.35 144.06 51.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -122.87 136.37 54.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.3 m -132.53 150.06 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.7 12.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 125.64 12.39 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.732 2.288 . . . . 0.0 112.394 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 m -152.58 158.35 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.8 p -60.64 139.72 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -42.91 -50.13 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -90.47 162.06 15.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.87 148.55 5.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t 68.54 45.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -114.5 149.77 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 -33.06 60.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 mtt 55.57 50.58 14.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.06 178.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.1 m -40.51 112.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -114.95 -177.13 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -92.33 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -90.59 27.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.35 -41.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 p -125.14 -12.47 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.35 25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.8 p -80.36 121.55 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 20' ' ' THR . 4.9 ttpp -60.94 126.48 27.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.7 m-85 -69.6 132.97 47.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.524 ' OG1' ' CE2' ' A' ' 22' ' ' PHE . 41.4 p -145.71 176.95 9.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -44.68 -38.32 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE2' ' OG1' ' A' ' 20' ' ' THR . 0.1 OUTLIER -86.91 -38.37 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.6 67.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -46.39 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.1 tt0 -110.08 130.22 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.898 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.4 m-85 -114.85 160.94 18.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.33 146.23 16.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -93.67 166.88 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.6 mmtt -109.29 -42.36 4.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.2 t30 -66.41 -72.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.4 p -72.84 -36.51 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.61 44.89 10.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 79.3 mtt-85 -117.3 164.98 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.04 127.7 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.3 m-85 -136.21 159.68 41.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 19.4 p -95.29 140.61 29.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -30.43 -37.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.56 -49.87 66.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.6 m -78.76 -37.25 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -90.15 55.86 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -116.74 32.6 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 13.7 m-85 -132.06 163.9 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -141.42 140.85 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.99 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.9 mt -54.13 120.62 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.721 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.9 t -103.64 124.76 36.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 3.66 2.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.24 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.721 ' H ' HG12 ' A' ' 46' ' ' VAL . 36.4 mtp180 -104.87 -30.72 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.99 34.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.14 48.56 38.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' O ' HD22 ' A' ' 45' ' ' LEU . 3.9 m120 43.27 53.03 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.0 p -111.64 141.69 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 8.1 tt0 -70.36 84.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -101.46 160.24 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -66.32 110.73 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.485 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 25.5 m -118.53 160.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.581 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.8 p -72.65 155.83 39.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' CYS . 23.5 tptp -36.94 -66.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.558 ' NE2' HD11 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.04 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.7 m -40.94 -54.83 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.65 -33.95 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ARG . 40.2 m -86.03 -42.15 14.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 HD11 ' NE2' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -60.36 -42.04 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD21 ' OD1' ' A' ' 30' ' ' ASN . 24.1 mt -70.74 -19.75 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.0 p -102.03 -19.08 15.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 3.8 ptp180 -80.31 -46.11 16.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 66' ' ' ARG . . . 84.13 -45.9 3.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -46.51 104.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -166.76 150.73 7.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.27 92.36 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 41.6 41.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.81 -52.69 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.3 m -59.69 175.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 140.79 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -158.28 129.57 6.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.8 m -129.25 151.2 77.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.698 0.761 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 138.88 38.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 80' ' ' ASN . 3.2 pt20 -64.78 126.94 29.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' GLN . 39.8 t-20 33.86 49.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 9.9 t80 -41.44 -65.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 34.25 46.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 2.0 m -111.19 -44.15 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.39 136.57 5.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 1.26 4.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.398 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.3 m -102.43 160.57 14.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.6 m -140.82 153.0 45.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.485 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m -117.97 132.93 56.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -159.36 154.23 24.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.8 117.56 0.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -121.64 165.72 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -160.86 175.64 12.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.37 -156.05 27.76 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -143.31 136.58 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -154.59 -175.87 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -56.52 109.71 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -110.84 177.85 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.99 149.12 24.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.6 t80 -92.58 25.53 3.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.71 -43.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -120.44 -12.14 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.34 26.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG21 ' HE2' ' A' ' 23' ' ' LYS . 7.5 p -79.97 142.05 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -78.62 130.92 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 39.3 m-85 -78.77 122.18 25.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 74.7 p -140.82 -177.39 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mt -38.2 -62.6 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.7 -46.85 80.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -91.84 94.34 9.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -72.47 167.52 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 30.0 tt0 -103.52 129.27 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.934 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.9 m-85 -116.01 159.94 20.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.607 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.61 146.84 16.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -94.78 165.82 12.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 46' ' ' VAL . 67.1 mmtt -107.64 -41.1 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.429 ' OD1' HD21 ' A' ' 64' ' ' LEU . 11.6 t30 -68.17 -73.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.8 p -72.28 -34.61 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.11 45.49 15.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 73.1 mtt-85 -117.03 168.6 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.92 127.38 35.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.5 m-85 -135.36 162.04 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 p -95.83 140.48 30.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -31.38 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.45 -48.2 71.01 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 36' ' ' CYS . 93.7 m -79.28 -37.96 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.934 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -89.58 57.24 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.8 p -118.55 33.01 5.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 18.0 m-85 -132.01 160.64 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -136.71 140.76 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.92 152.67 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.3 124.06 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 48' ' ' ARG . 17.2 t -109.94 122.09 40.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -12.45 32.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.641 ' H ' HG12 ' A' ' 46' ' ' VAL . 41.8 mtp180 -80.77 -39.8 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.82 -32.56 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.46 41.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.27 48.06 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.7 p -118.09 138.76 52.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -69.56 85.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -101.78 160.59 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -65.77 110.3 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.6 m -118.44 162.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.4 p -74.85 153.54 38.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' CYS . 10.5 tppt? -34.98 -65.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.34 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.8 m -41.48 -55.54 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.5 t-80 -46.63 -33.57 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.406 ' HA ' ' HG1' ' A' ' 65' ' ' THR . 22.6 m -87.56 -36.78 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -65.05 -42.05 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.429 HD21 ' OD1' ' A' ' 30' ' ' ASN . 22.2 mt -72.79 -16.97 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.406 ' HG1' ' HA ' ' A' ' 62' ' ' THR . 38.6 p -100.69 -24.42 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -74.91 -31.81 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.97 -125.75 3.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 m -174.67 159.24 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -42.57 70.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -93.52 112.78 24.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -123.49 136.08 54.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.36 132.57 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t 51.91 41.75 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 74' ' ' LYS . 1.6 pptp? -49.95 142.77 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -88.36 128.54 35.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.8 t -130.21 143.44 49.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.1 36.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.8 23.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -39.33 -42.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.53 131.46 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -157.75 122.93 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp 53.73 41.96 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.3 t -145.5 139.92 27.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.71 -177.52 30.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -23.48 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.7 m -51.51 126.02 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -108.32 100.38 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -67.23 158.18 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -122.86 132.73 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.55 126.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -128.25 115.7 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -142.35 116.97 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 -105.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -49.0 114.51 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -125.59 -52.58 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 m -108.84 99.86 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 9.3 mtp180 -126.89 -176.03 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.529 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.2 t -87.18 145.81 26.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.5 t80 -90.86 26.62 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.8 -41.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 9.8 p -121.91 -10.21 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 74.53 25.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.529 HG12 ' CB ' ' A' ' 12' ' ' CYS . 5.0 p -78.9 147.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 24.4 tttt -89.22 127.92 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CG ' ' HB2' ' A' ' 25' ' ' GLU . 36.0 m-85 -72.93 132.52 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -142.15 -175.6 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mp -52.3 -43.26 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.09 -36.23 41.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -104.47 96.9 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -69.88 162.8 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 19' ' ' PHE . 10.0 tm-20 -105.64 132.17 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.915 ' HB3' HD23 ' A' ' 40' ' ' LEU . 2.8 m-85 -113.95 161.47 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -126.79 146.88 16.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.82 160.48 14.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.625 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.6 mmtm -101.53 -44.24 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -64.06 -74.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -71.84 -34.36 69.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.61 45.51 17.57 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 88.9 mtt180 -115.9 166.96 11.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.56 124.98 33.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 78.6 m-85 -133.25 158.1 43.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' CYS . 17.5 p -93.75 147.85 22.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -38.2 -37.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.19 -38.38 95.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 36' ' ' CYS . 96.9 m -88.76 -47.51 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -79.3 59.16 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.7 p -119.58 33.29 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 16.5 m-85 -133.8 158.64 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.78 137.19 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.94 149.05 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 120.21 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.5 t -103.73 122.29 45.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 111.175 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.4 3.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.724 ' H ' HG12 ' A' ' 46' ' ' VAL . 40.7 mtp180 -101.44 -35.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.8 22.22 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.55 50.24 4.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 41.96 52.93 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -114.62 137.96 51.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.44 89.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -106.75 160.49 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -67.06 105.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.0 m -112.28 167.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.8 p -80.01 154.64 28.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 13.4 tptm -35.45 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.7 tt0 -39.33 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 56.1 m -42.53 -53.86 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.1 t-80 -46.69 -32.74 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 m -89.47 -38.38 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -62.98 -37.18 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD21 ' OD1' ' A' ' 30' ' ' ASN . 14.7 mt -76.93 -20.33 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 p -98.64 -21.78 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 67' ' ' GLY . 15.0 ptt180 -76.2 -37.66 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . 37.05 75.53 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 m -107.53 -59.97 1.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -81.61 113.85 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.29 146.11 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -47.49 148.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.02 104.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -137.11 128.89 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -127.64 145.54 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.642 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 5.2 p-90 -110.45 141.95 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 97.2 p -98.61 135.02 21.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.642 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 53.6 Cg_endo -69.75 152.57 69.4 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 179.63 3.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -69.27 -53.42 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -87.09 81.82 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -172.14 113.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -138.25 146.94 43.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -147.45 158.8 44.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.53 -174.88 17.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 t -55.13 108.71 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -134.23 143.41 47.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -91.56 116.7 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -94.86 82.69 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.56 69.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -85.45 119.18 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -105.31 142.33 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.38 69.07 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -122.45 90.34 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.84 -175.31 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 p -57.31 109.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mtt180 -112.44 -175.69 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' CB ' HG12 ' A' ' 17' ' ' VAL . 30.3 t -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.7 t80 -92.06 27.36 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.61 -39.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 14.2 p -123.67 -10.31 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 72.86 27.05 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 12' ' ' CYS . 8.0 p -80.92 148.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -87.17 120.3 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 31.6 m-85 -64.64 113.46 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LYS . 50.2 p -134.88 172.74 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.543 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -37.17 -44.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.52 -38.69 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' THR . 17.6 tptt -107.29 97.72 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -68.47 164.48 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.74 133.62 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.922 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.5 m-85 -123.09 162.24 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.87 146.7 16.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.22 166.55 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.7 mmtt -109.14 -41.45 4.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.435 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -67.64 -74.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.2 p -69.79 -35.39 74.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.97 44.3 12.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.4 mtt-85 -118.64 165.4 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.51 132.38 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.9 m-85 -139.51 159.45 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -94.37 147.38 23.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -38.51 -36.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.34 -37.93 94.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' CYS . 99.4 m -89.41 -46.74 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.15 59.64 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -120.72 35.41 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 19.7 m-85 -135.24 159.17 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.33 138.27 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.44 148.34 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 53' ' ' GLN . 11.8 mt -54.94 121.12 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -107.08 121.93 43.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -16.94 37.89 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.26 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' HG12 ' A' ' 46' ' ' VAL . 35.5 mtp85 -76.01 -40.95 52.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.97 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.08 41.9 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 58.68 51.38 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.985 0.421 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 p -121.57 134.11 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 32.8 tt0 -63.37 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -98.16 157.04 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -65.16 108.83 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -116.15 165.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.9 p -77.29 155.32 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' CYS . 9.0 tptm -36.2 -65.8 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.0 tt0 -39.77 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.0 m -41.62 -53.45 3.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.8 t-80 -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' ARG . 85.7 m -86.61 -42.69 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -58.84 -41.08 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 30' ' ' ASN . 26.3 mt -73.33 -17.02 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -105.21 -15.78 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.5 ptm180 -87.77 -42.88 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' A' ' 66' ' ' ARG . . . 171.07 102.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.3 t -60.64 92.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -73.56 169.02 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -77.05 178.8 6.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -155.38 178.47 10.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -44.2 169.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ALA . 51.2 p -34.46 121.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.99 123.7 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 6.1 t90 -52.11 131.0 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.7 p -94.3 153.87 40.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.73 165.5 30.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -176.76 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -85.45 41.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 34.5 t30 -129.41 40.23 3.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LYS . 4.9 t80 -136.83 162.78 32.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 21.9 tptm -37.41 113.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.9 p -154.7 151.53 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.61 166.56 7.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 86.64 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -85.95 174.12 9.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 t -77.24 136.61 38.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.528 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -174.72 149.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -152.43 149.34 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.71 117.04 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -151.08 173.58 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -88.4 152.52 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' NH1' ' A' ' 11' ' ' ARG . . . -43.44 119.71 2.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ptp -83.2 41.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.53 -175.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -61.16 108.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 35.6 mtm-85 -117.59 -174.87 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.5 t -93.45 145.02 24.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -91.54 28.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.1 p -125.28 -11.51 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.69 25.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG21 ' HE2' ' A' ' 23' ' ' LYS . 8.5 p -82.25 131.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 126.18 28.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 30.9 m-85 -69.39 115.23 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 21' ' ' LEU . 31.1 p -137.03 172.38 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.2 mp -33.82 -53.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -68.59 -50.64 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.65 84.28 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -58.34 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 22.1 tt0 -111.79 130.35 55.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.953 ' HB3' HD23 ' A' ' 40' ' ' LEU . 6.4 m-85 -120.07 162.67 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.579 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.46 146.02 16.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -93.44 165.69 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' VAL . 69.4 mmtt -109.21 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.3 t30 -68.96 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.2 p -70.13 -35.64 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.13 44.25 9.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 83.6 mtt180 -118.22 167.77 11.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 128.71 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.3 m-85 -135.56 157.92 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.2 p -92.23 147.91 22.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -39.23 -36.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.42 93.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' CYS . 90.3 m -89.34 -47.34 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.953 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -79.56 59.29 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.4 p -119.22 34.65 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 17.8 m-85 -134.48 160.59 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 137.21 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.9 149.81 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.74 122.2 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 48' ' ' ARG . 24.3 t -108.9 122.11 40.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.19 34.95 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.524 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.9 mtp180 -73.39 -37.35 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.16 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 54.8 47.99 21.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -118.92 134.98 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -63.87 87.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -104.14 158.36 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.46 107.97 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 32.8 m -115.79 163.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -75.95 154.18 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' CYS . 5.0 tppp? -35.14 -65.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.3 tt0 -39.6 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.0 m -41.65 -54.96 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.0 t-80 -46.93 -33.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -88.17 -35.0 17.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -66.53 -39.26 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -76.45 -13.07 60.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.0 p -105.45 -22.9 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' GLY . 6.3 ptm180 -74.09 -37.64 64.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -100.94 -100.86 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -174.87 177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -47.64 168.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -43.34 164.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' ALA . 49.3 p-10 -40.52 155.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ASN . . . -34.22 126.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -56.97 179.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' TRP . 12.6 ttpt -48.13 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 40.8 t90 -33.18 131.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -107.44 157.17 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.7 Cg_endo -69.78 170.45 16.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.1 Cg_endo -69.78 -167.41 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' PRO . 18.0 tp60 -35.72 154.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 66.85 39.23 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 83' ' ' SER . 3.5 p90 -103.73 176.22 5.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.6 88.81 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.495 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . 31.0 t -151.57 119.26 6.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.56 134.76 42.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 113.6 3.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p -129.39 162.77 27.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.7 p -74.86 -44.73 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.499 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -68.65 154.01 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -88.35 128.74 35.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.03 136.46 2.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -152.0 150.88 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -164.77 120.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.12 122.13 3.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -94.76 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -84.19 -46.22 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -116.46 104.34 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 38.2 mtt180 -125.98 179.26 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 t -92.7 142.21 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 4.1 t80 -87.01 26.22 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.36 -38.66 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.3 p -127.87 -7.21 5.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.375 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 67.12 27.1 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.74 131.16 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -64.99 134.7 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 m-85 -78.99 121.84 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' LEU . 38.5 p -145.99 170.68 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.2 mt -35.2 -45.76 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.48 -50.27 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -101.36 79.57 1.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.6 164.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 21.0 tt0 -106.27 125.81 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.848 ' HB3' HD23 ' A' ' 40' ' ' LEU . 3.7 m-85 -116.23 162.14 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.586 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -128.08 146.76 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.87 166.78 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 46' ' ' VAL . 70.5 mmtt -111.58 -38.43 4.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.497 ' OD1' HD21 ' A' ' 64' ' ' LEU . 8.7 t30 -69.11 -72.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -71.29 -37.32 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.6 43.52 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 80.5 mtt180 -118.08 168.6 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.57 127.89 35.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 80.2 m-85 -136.37 155.19 50.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' GLY . 23.0 p -88.61 140.37 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -31.26 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -65.67 -48.95 62.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.1 m -79.12 -32.65 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -94.86 57.85 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -117.06 34.07 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.588 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 10.9 m-85 -132.18 159.71 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -136.62 143.91 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.96 152.67 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 53' ' ' GLN . 13.6 mt -58.18 124.38 19.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.6 t -110.83 122.2 38.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 111.148 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.51 28.7 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.676 ' H ' HG12 ' A' ' 46' ' ' VAL . 29.1 mtp180 -83.02 -38.71 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.0 -33.53 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.22 40.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.05 48.53 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 p -118.89 135.54 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 45' ' ' LEU . 7.4 tt0 -67.53 78.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -92.57 162.02 14.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -67.33 108.94 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.1 m -115.0 161.74 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.597 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.6 p -74.16 157.07 36.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 22.5 tptp -37.58 -65.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -40.08 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 50.5 m -39.36 -55.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 4.3 t-80 -45.24 -36.18 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.427 HG22 ' CD ' ' A' ' 66' ' ' ARG . 21.8 m -84.46 -40.01 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 69' ' ' SER . 1.3 mt -60.0 -51.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.0 mt -60.87 -47.4 86.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -68.86 -30.55 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' CD ' HG22 ' A' ' 62' ' ' THR . 14.9 mtp180 -69.7 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.11 -39.12 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -119.5 40.2 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.667 ' HB3' HG23 ' A' ' 63' ' ' ILE . 7.0 t -83.94 41.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -147.63 154.64 40.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -101.47 145.86 28.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.53 106.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.4 m -149.15 133.33 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.88 111.75 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -53.84 128.18 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -134.17 142.91 44.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 138.69 38.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 175.6 7.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -75.94 157.42 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m120 55.81 34.31 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.552 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 4.2 p90 -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.97 115.91 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLY . 32.3 t -157.35 118.17 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 83' ' ' SER . . . 35.12 -140.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HD2' ' HA3' ' A' ' 84' ' ' GLY . 53.8 Cg_endo -69.73 166.78 26.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -111.91 132.73 54.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -129.73 117.5 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.439 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -84.04 47.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -141.88 117.58 10.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.74 -129.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -44.67 -58.28 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.903 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m 52.19 40.82 29.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.47 107.15 2.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 38.61 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -55.37 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -58.62 104.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -120.46 -175.38 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t -92.55 144.5 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.8 t80 -91.43 26.68 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.7 -40.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 23.2 p -125.0 -12.06 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.98 25.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.0 p -79.74 121.29 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -63.55 128.81 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 22.8 m-85 -72.22 137.69 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 p -147.41 -176.18 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -50.46 -42.59 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -84.08 -32.04 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 17' ' ' VAL . 3.1 tppt? -103.56 87.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -64.51 160.91 18.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 59.4 tt0 -103.23 136.37 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.91 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.0 m-85 -120.27 161.36 21.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.561 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.83 146.59 16.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -96.78 159.66 14.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HB2' HG21 ' A' ' 46' ' ' VAL . 30.9 mmtm -101.05 -42.94 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.6 t30 -64.37 -74.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.9 p -72.05 -35.65 69.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.09 46.31 10.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.6 mtt180 -117.39 167.56 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.868 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.26 124.19 33.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 76.9 m-85 -132.53 160.7 35.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' GLY . 18.2 p -95.67 140.53 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 36' ' ' CYS . 1.0 OUTLIER -30.81 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.53 -49.11 72.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' CYS . 97.9 m -79.34 -38.66 34.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.91 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -88.94 58.3 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -119.65 33.47 5.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 12.6 m-85 -132.26 162.6 30.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 140.3 41.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.1 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -53.45 122.66 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 48' ' ' ARG . 32.8 t -110.82 121.61 40.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -16.12 37.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 46' ' ' VAL . 25.2 mtp85 -77.97 -39.96 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.78 -29.1 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.46 44.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.08 49.41 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLN . 13.6 p -120.23 134.0 55.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.51 76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' THR . 25.6 mm-40 -93.86 160.62 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -66.22 113.6 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 m -120.72 164.25 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.4 p -75.91 156.29 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' CYS . 48.2 tptt -35.99 -66.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -39.99 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 54.2 m -40.42 -55.15 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 3.1 t-80 -45.16 -36.46 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ARG . 21.2 m -84.33 -43.86 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -57.11 -43.56 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.7 mt -73.5 -7.76 53.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.2 p -119.26 -3.12 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' THR . 3.0 ptm180 -96.87 -42.04 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -157.07 50.74 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -94.1 169.54 10.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.3 p -161.23 166.58 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -77.06 106.4 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -87.78 101.45 13.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.29 -51.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 74' ' ' LYS . 75.4 p -168.63 118.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.5 tptm -34.26 118.76 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 77' ' ' PRO . 75.6 t90 -107.45 127.59 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.3 p -115.89 131.3 23.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.9 Cg_endo -69.8 169.26 19.39 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 156.81 62.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -68.29 148.14 51.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 56.64 51.05 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -67.45 -43.72 80.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.05 161.53 13.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t -94.21 100.2 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -159.02 151.87 22.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.27 16.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.1 p -152.17 157.18 41.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.9 p -97.26 164.95 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -82.76 163.51 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -40.47 158.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.19 -125.81 1.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 m -80.29 125.46 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -131.44 142.44 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.96 126.06 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.16 83.58 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -123.72 176.61 6.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m -42.48 112.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 29.5 mtm-85 -112.37 -176.46 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 t -93.47 141.11 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' HD3' ' A' ' 33' ' ' ARG . 3.2 t80 -87.6 28.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.61 -41.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 p -125.05 -8.35 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 68.3 28.25 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.6 p -83.08 124.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -61.91 131.02 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.46 ' CE2' ' O ' ' A' ' 11' ' ' ARG . 33.2 m-85 -75.84 111.88 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LEU . 40.3 p -130.89 168.81 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.7 mp -32.55 -51.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -68.18 -45.06 74.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.3 tppt? -102.2 100.87 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 167.32 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -107.15 128.67 54.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.895 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.6 m-85 -117.29 161.87 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -129.24 146.12 16.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.9 164.07 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -107.34 -40.75 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.591 ' OD1' HD21 ' A' ' 64' ' ' LEU . 9.5 t30 -67.35 -74.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -70.56 -35.99 73.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 43.96 10.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 13' ' ' TYR . 85.3 mtt180 -117.52 165.17 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.36 128.18 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 77.8 m-85 -135.48 160.32 38.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 38' ' ' GLY . 16.8 p -94.86 140.56 29.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 2.9 t30 -31.22 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' CYS . . . -63.87 -48.93 71.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' CYS . 92.8 m -79.61 -38.59 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.895 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -88.36 55.8 3.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -115.5 29.54 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 14.4 m-85 -127.64 163.63 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.94 149.27 47.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.04 146.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 53' ' ' GLN . 15.1 mt -57.11 123.73 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 48' ' ' ARG . 21.8 t -105.14 124.74 35.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.81 3.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.71 ' H ' HG12 ' A' ' 46' ' ' VAL . 12.3 mtt85 -104.98 -30.06 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -102.05 31.43 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.16 43.19 33.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 45' ' ' LEU . 5.5 m120 46.54 52.75 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 p -111.99 139.01 47.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.614 ' N ' HD23 ' A' ' 45' ' ' LEU . 16.8 tt0 -65.92 81.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -99.11 161.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -66.44 113.87 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.514 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 31.7 m -120.56 159.77 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 27.3 p -72.66 154.68 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HD3' ' CZ ' ' A' ' 42' ' ' PHE . 15.4 tptm -36.15 -65.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.492 ' O ' HG13 ' A' ' 63' ' ' ILE . 2.1 tt0 -39.52 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 52.1 m -40.25 -55.88 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 2.8 t-80 -44.45 -33.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -88.21 -38.07 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 mt -60.93 -49.08 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD21 ' OD1' ' A' ' 30' ' ' ASN . 18.1 mt -63.12 -46.11 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -69.4 -32.04 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -65.89 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.47 -134.46 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.4 t -154.96 140.99 18.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.4 p -77.55 159.54 29.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.78 156.15 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.92 155.41 19.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -173.57 175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' ALA . 30.9 t -34.77 114.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -113.68 175.14 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.645 ' CZ3' ' HA ' ' A' ' 77' ' ' PRO . 6.0 p-90 -139.82 126.07 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.591 ' O ' ' CE3' ' A' ' 75' ' ' TRP . 13.3 t -81.34 141.69 49.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.896 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.645 ' HA ' ' CZ3' ' A' ' 75' ' ' TRP . 54.2 Cg_endo -69.75 157.99 58.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' GLN . 53.1 Cg_endo -69.8 165.06 32.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.267 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' PRO . 10.2 mm-40 -34.06 -40.44 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -88.49 130.84 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -171.82 168.36 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -105.11 93.48 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.0 t -52.87 -52.2 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.17 173.04 4.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.58 45.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 t -122.29 146.02 47.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 t -48.35 -60.27 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.462 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -117.89 162.97 17.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -151.46 146.69 26.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.02 174.47 46.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 t -164.9 131.52 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -121.96 91.95 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.09 177.15 17.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 tpp -174.98 155.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.695 0.283 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' SER . 1.7 mp0 -62.9 179.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' GLU . 50.0 m -36.2 112.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -111.9 -178.73 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t -88.04 144.04 26.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 33' ' ' ARG . 3.3 t80 -90.86 28.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.91 -41.87 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 22.6 p -124.08 -10.63 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' CYS . . . 73.07 25.17 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -80.3 127.69 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.52 135.11 55.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 25' ' ' GLU . 33.0 m-85 -80.66 129.43 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.8 p -150.21 176.29 10.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.9 mt -38.71 -44.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -78.13 -53.23 7.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' HG11 ' A' ' 17' ' ' VAL . 19.1 tptt -92.48 80.36 4.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.27 174.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 32.8 tt0 -115.0 131.08 57.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.906 ' HB3' HD23 ' A' ' 40' ' ' LEU . 5.8 m-85 -118.16 161.8 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.569 ' O ' HD21 ' A' ' 40' ' ' LEU . . . -127.25 146.45 16.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -94.35 166.59 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' HG21 ' A' ' 46' ' ' VAL . 71.1 mmtt -109.94 -41.27 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' OD1' HD21 ' A' ' 64' ' ' LEU . 10.5 t30 -66.96 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.57 -37.1 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.81 44.39 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 13' ' ' TYR . 86.1 mtt180 -118.12 166.29 12.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.28 129.79 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 57' ' ' CYS . 79.7 m-85 -137.89 156.52 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' CYS . 16.8 p -92.0 146.26 23.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -37.42 -35.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -39.14 94.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.9 m -88.72 -43.13 11.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.906 HD23 ' HB3' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -83.74 58.15 4.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -118.45 34.33 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 9.7 m-85 -133.85 162.02 33.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.11 143.59 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.783 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.19 148.65 8.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 53' ' ' GLN . 17.9 mt -55.17 123.1 12.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 48' ' ' ARG . 27.2 t -107.57 126.62 29.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 5.35 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.7 ' H ' HG12 ' A' ' 46' ' ' VAL . 26.2 mtp180 -110.71 -30.26 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.95 29.75 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 52' ' ' THR . . . 71.02 50.16 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 5.8 p-10 44.29 54.99 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' GLY . 75.9 p -125.06 145.5 49.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' N ' HD23 ' A' ' 45' ' ' LEU . 34.9 tt0 -72.39 96.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -110.09 162.56 14.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.96 111.75 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 30.6 m -119.81 159.36 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 26.7 p -71.69 154.1 41.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' CYS . 26.9 tptt -35.51 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 1.5 tt0 -39.25 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 30' ' ' ASN . 51.2 m -41.01 -55.02 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 42' ' ' PHE . 5.5 t-80 -45.84 -35.12 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -87.35 -36.19 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 mt -62.71 -47.68 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD21 ' OD1' ' A' ' 30' ' ' ASN . 17.0 mt -64.24 -46.94 81.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -68.25 -34.68 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -61.05 -61.32 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.74 75.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -49.54 175.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -89.72 170.78 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -92.81 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -87.58 90.78 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.93 89.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -71.91 162.72 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -99.72 131.15 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.512 ' C ' ' CE3' ' A' ' 75' ' ' TRP . 0.2 OUTLIER -108.14 80.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 15.9 m -99.38 107.38 44.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 75' ' ' TRP . 53.5 Cg_endo -69.75 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 176.74 6.32 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.252 . . . . 0.0 112.414 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.24 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -73.11 90.09 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 47.2 t80 -100.65 41.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -104.13 142.05 35.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.4 t -157.41 163.11 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.27 -165.61 53.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -82.15 40.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.5 p -81.9 90.86 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.458 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_