data_1wg1_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 1wg1 _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 ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.0 pt -140.54 157.48 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.1 mt -108.59 127.38 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 102' ' ' LEU . 21.2 t -96.86 97.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.42 170.05 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.4 t30 60.35 52.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.423 ' CD2' ' CG1' ' A' ' 99' ' ' VAL . 60.7 mt -91.92 152.96 43.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -168.04 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -86.81 -28.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -105.1 24.16 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -65.81 140.14 58.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -152.97 166.3 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.33 -52.4 62.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -41.07 -33.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.81 -44.9 19.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.56 -51.91 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -46.58 -55.94 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -39.74 81.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.7 tp -56.62 -51.11 69.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 38.3 mt -91.65 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -41.63 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -49.86 -42.28 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 145' ' ' ALA . 30.4 m-85 -93.59 163.57 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.05 112.01 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 mp -86.1 139.29 31.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -105.54 -37.99 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -154.34 150.19 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -140.4 129.33 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -131.1 98.95 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.28 129.19 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.6 t0 -119.88 88.96 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -54.55 -48.47 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -45.87 9.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -109.53 14.19 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 126' ' ' ASP . 67.8 mtm-85 38.23 53.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.6 m -138.07 130.98 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.09 114.19 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.66 117.74 23.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -113.19 136.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.6 m -110.48 99.38 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.5 mt -71.37 -178.1 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.68 -64.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -115.52 165.59 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.99 -50.39 29.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.6 -44.69 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -53.34 -47.0 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -62.96 -57.84 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' ALA . 10.0 mm-40 -35.16 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 142' ' ' ALA . 2.6 m-80 -95.73 -56.95 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.5 ' HB3' ' CE2' ' A' ' 118' ' ' TYR . . . -42.97 -34.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 58.5 mt -53.41 -68.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.82 -41.4 87.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 8.0 mmt -55.58 -26.71 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.07 -10.92 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 7.1 t60 -52.57 139.72 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.8 pt20 45.68 32.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 153' ' ' SER . 30.8 t80 -66.21 160.01 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 2.3 t -80.65 110.46 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.454 ' CB ' HD12 ' A' ' 159' ' ' LEU . 41.7 t80 -151.42 109.81 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? 58.47 42.26 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 61.97 15.6 49.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.02 171.13 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.64 83.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 154' ' ' PHE . 95.5 mt -47.87 116.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 63.0 mt -93.76 117.16 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.78 131.44 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -132.49 175.99 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 pt -128.92 150.09 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.6 mt -104.59 133.08 50.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' CD2' ' A' ' 102' ' ' LEU . 18.6 t -102.71 95.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HD2' ' NE2' ' A' ' 162' ' ' GLN . 65.5 mttt -101.13 157.33 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t30 74.07 51.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD2' ' CG1' ' A' ' 99' ' ' VAL . 82.9 mt -93.05 153.84 41.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -166.16 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -92.21 -8.7 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.3 p30 -122.53 22.93 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 t -58.46 138.0 56.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 46.1 m-80 -150.4 162.37 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLN . 37.8 t -62.74 -58.16 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' CYS . 35.0 mt-30 -37.66 -38.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.61 -56.76 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.4 t -59.94 -51.46 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -41.99 -61.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.23 -38.3 82.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.3 -49.0 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 149' ' ' PHE . 44.1 mt -98.02 41.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.92 -39.39 81.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -49.85 -36.58 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.64 166.57 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.09 119.58 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.68 132.12 37.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -100.32 -42.4 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -149.38 143.04 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.24 136.27 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 114.19 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.78 129.39 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.73 89.67 3.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -50.45 -38.16 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -50.99 -56.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -97.16 12.32 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 39.26 52.91 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.8 m -139.76 135.94 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -118.08 134.16 55.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.64 118.02 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -118.01 130.42 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.2 m -111.2 103.22 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.87 -179.11 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 30.0 tp -73.32 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.44 165.48 14.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -72.54 -50.65 14.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 33.5 tt0 -42.44 -35.8 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.41 -37.08 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' GLY . . . -68.1 -50.07 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -41.6 -29.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 23.0 m-80 -93.54 -58.85 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.61 -31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 62.7 mt -55.53 -69.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.7 mtt -58.98 -20.5 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.436 ' CZ ' HD21 ' A' ' 115' ' ' LEU . 12.7 m-85 -125.67 -5.98 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -54.76 138.54 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 159' ' ' LEU . 6.5 pt20 41.45 46.58 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 153' ' ' SER . 7.4 t80 -80.03 158.68 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 19.7 t -78.27 97.12 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.03 108.66 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 52.45 28.42 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.38 -20.62 39.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -87.58 139.99 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -91.41 73.25 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 151' ' ' GLN . 26.6 mt -36.98 139.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 32.4 mm -110.21 121.19 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.12 126.31 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.462 ' NE2' ' HD2' ' A' ' 100' ' ' LYS . 7.0 pt20 -140.52 166.82 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.61 150.43 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD2' ' CD2' ' A' ' 133' ' ' PHE . 53.2 mt -106.19 140.04 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 102' ' ' LEU . 17.5 t -108.16 85.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.81 178.29 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.4 t30 61.23 45.35 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 99' ' ' VAL . 72.5 mt -88.36 152.23 49.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -92.66 -16.1 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 2.7 m-20 -120.72 33.79 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 t -64.07 150.41 45.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 3.3 m-80 -156.83 158.53 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 16.7 t -67.66 -63.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 20.6 tt0 -34.38 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER -67.49 -57.42 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 96.2 t -64.17 -53.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' VAL . 6.0 t-80 -34.47 -52.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -41.64 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . 9.9 tp -54.87 -45.37 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.475 HD22 ' CE2' ' A' ' 149' ' ' PHE . 40.7 mt -98.54 48.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -71.05 -39.75 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.87 -46.22 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.493 ' CE2' ' HB1' ' A' ' 145' ' ' ALA . 11.8 m-85 -85.03 148.83 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.34 122.62 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.16 148.81 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -121.63 -37.38 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -153.31 124.76 7.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 t -120.29 121.42 38.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -134.29 107.23 7.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.3 127.71 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.5 t0 -118.25 90.07 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 128' ' ' ASN . 25.6 ptt180 -58.15 -44.28 87.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 127' ' ' ARG . 38.4 t30 -53.58 -38.53 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 130' ' ' ARG . 23.5 mttt -110.42 11.75 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' ASP . 32.3 mtp180 36.29 54.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 94.4 m -145.46 122.87 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -105.87 120.34 41.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 51.7 m-85 -86.27 114.75 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -120.29 109.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.9 m -86.4 107.24 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.21 172.63 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.19 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -114.38 165.36 12.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -65.33 -57.94 10.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 139' ' ' GLY . 8.6 tm-20 -35.48 -49.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -52.24 -44.44 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -66.18 -59.66 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 139' ' ' GLY . 1.1 mp0 -35.41 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.3 m-80 -95.79 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 118' ' ' TYR . . . -37.63 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 144' ' ' ASN . 72.0 mt -62.79 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.93 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 35.1 mmt -51.56 -39.07 57.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.475 ' CE2' HD22 ' A' ' 115' ' ' LEU . 5.3 m-85 -101.5 -16.32 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.22 132.86 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 62.01 39.54 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 1.6 t -75.38 120.07 20.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.43 ' CG ' HD12 ' A' ' 159' ' ' LEU . 20.3 t80 -152.53 109.48 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 52.98 26.57 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 89.49 -16.19 56.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -93.31 156.17 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' LEU . 19.5 m-20 -98.89 80.26 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 158' ' ' ASP . 41.8 mt -35.44 132.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.9 mm -107.02 104.13 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -93.3 129.81 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -140.15 -179.37 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 pt -137.83 153.39 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -107.87 132.53 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.0 t -104.24 92.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -102.51 162.16 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.2 t30 70.9 51.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.9 mt -91.9 155.0 43.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -166.96 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.98 -31.06 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 m-20 -105.48 29.75 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -63.04 140.73 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 64.7 m-80 -149.42 172.98 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 11.0 t -71.96 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 27.0 mm-40 -38.18 -39.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 5.9 mp0 -64.08 -48.57 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.34 -42.49 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.483 ' CD2' HD22 ' A' ' 120' ' ' LEU . 4.4 m170 -47.08 -63.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.69 -42.65 64.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.2 tp -57.07 -52.18 66.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.557 HD22 ' CE2' ' A' ' 149' ' ' PHE . 28.0 mt -94.31 44.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -66.26 -45.87 79.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.54 -51.0 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -82.33 174.84 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -110.78 104.72 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' A' ' 112' ' ' HIS . 4.6 mp -74.19 130.35 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -102.29 -45.69 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -136.17 119.83 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.57 112.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -125.3 105.88 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.88 125.65 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.94 89.67 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -57.64 -42.1 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -46.84 -43.01 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -113.63 14.43 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 28.7 mtm-85 39.24 51.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -138.66 125.33 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -114.18 115.48 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -83.06 117.63 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.34 117.56 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -95.24 113.73 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.8 mt -81.1 169.13 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.84 -62.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -117.57 176.01 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.63 -50.52 6.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -44.85 -48.1 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -51.02 -41.3 59.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -69.87 -55.38 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 96.1 mm-40 -34.93 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 142' ' ' ALA . 61.5 m-80 -94.5 -58.72 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.01 -39.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 150' ' ' HIS . 43.5 mt -50.94 -67.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -65.08 -50.5 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 6.9 mmt -45.74 -39.54 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 115' ' ' LEU . 4.2 m-85 -96.91 -21.93 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 146' ' ' ILE . 17.4 t60 -48.75 132.38 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.4 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 84.0 mt-30 59.35 46.08 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 153' ' ' SER . 47.2 t80 -92.57 148.47 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.411 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 31.8 t -74.59 120.43 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -156.04 116.82 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 55.14 28.21 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.76 -19.68 23.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -90.66 170.76 9.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -112.9 94.19 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 65.6 mt -50.09 119.46 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 77.6 mt -94.9 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 132.31 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.83 174.5 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.2 pt -149.45 153.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -106.98 131.08 54.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 102' ' ' LEU . 24.0 t -106.43 87.92 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -96.7 160.19 14.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.1 t30 73.77 47.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 99' ' ' VAL . 38.4 mt -91.51 156.6 43.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -95.09 -26.91 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.3 m-20 -108.1 30.19 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 5.6 t -62.39 158.16 18.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 42.6 m-80 -162.37 158.46 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.71 -56.92 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.16 -37.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.71 -46.68 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.1 -37.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -49.17 -60.44 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -44.53 65.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.0 tp -55.25 -46.51 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.95 45.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 -30.01 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 -39.24 75.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 145' ' ' ALA . 12.3 m-85 -100.65 159.45 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.97 116.87 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 120' ' ' LEU . 7.9 mp -90.82 126.18 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -92.81 -55.45 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -133.02 136.13 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -133.36 129.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -136.53 106.53 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.91 127.84 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -119.75 89.95 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -55.83 -41.8 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -47.33 -43.78 23.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -110.4 14.17 22.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 39.97 50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -141.66 133.61 27.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.76 43.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.85 121.5 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.03 126.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 65.1 m -105.03 103.21 12.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.75 177.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.81 -61.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -123.54 177.37 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -77.57 -57.24 3.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.8 mt-10 -37.16 -41.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -63.04 -44.1 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 139' ' ' GLY . . . -67.87 -51.69 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 24.8 mm-40 -35.95 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 142' ' ' ALA . 45.1 m-80 -96.97 -58.61 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.428 ' HB1' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.41 -27.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.421 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 38.2 mt -61.86 -66.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 -49.66 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 80.2 mmm -41.43 -40.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.64 -30.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -39.7 126.93 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 68.89 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 153' ' ' SER . 56.5 t80 -92.76 148.1 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.53 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 15.7 t -77.39 120.54 22.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CG ' HD11 ' A' ' 159' ' ' LEU . 38.8 t80 -149.79 119.65 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 49.75 26.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 92.62 -24.38 23.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -90.14 151.49 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -93.39 99.01 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.417 HD11 ' CG ' ' A' ' 154' ' ' PHE . 75.8 mt -55.81 121.09 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 96.7 mt -96.0 102.56 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.1 t -95.39 123.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -134.93 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.408 HG21 ' CG1' ' A' ' 146' ' ' ILE . 28.4 pt -146.11 152.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.6 mt -104.61 125.47 50.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.442 HG12 ' CG ' ' A' ' 102' ' ' LEU . 15.6 t -103.4 86.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -94.8 163.97 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.448 ' HB2' ' CD1' ' A' ' 160' ' ' ILE . 13.9 t-20 74.32 37.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.442 ' CG ' HG12 ' A' ' 99' ' ' VAL . 59.9 mt -81.61 149.42 64.37 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -95.24 -16.32 22.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.19 31.45 6.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -73.89 152.57 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.83 162.33 32.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.09 -40.85 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -51.26 -34.13 31.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.45 -53.3 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.31 -54.49 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -39.66 -52.45 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -57.48 -47.17 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 149' ' ' PHE . 26.6 tp -52.55 -45.77 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.84 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -2.31 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.67 -28.88 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -104.98 154.27 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.04 128.03 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.18 117.51 34.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -91.08 -45.0 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -151.44 135.27 16.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.42 124.87 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.22 105.99 9.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.64 132.26 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -118.64 93.29 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -27.64 69.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -56.94 -51.49 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -107.12 5.36 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 54.58 49.65 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 92.6 m -137.83 124.41 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.429 ' N ' HD11 ' A' ' 102' ' ' LEU . . . -115.8 130.61 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -98.69 112.54 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.46 115.04 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 87.9 m -96.02 115.82 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.28 -179.17 5.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.14 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -105.61 161.28 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.96 -37.58 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -58.47 -40.56 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -66.62 -53.45 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 142' ' ' ALA . 34.3 mm-40 -37.03 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' ALA . 42.1 m-80 -97.48 -50.5 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.56 -22.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 150' ' ' HIS . 65.7 mt -80.7 -72.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -51.97 -28.66 17.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 23.6 mmm -68.72 -42.92 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 114' ' ' LEU . 53.7 m-85 -114.29 26.43 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 146' ' ' ILE . 10.0 t60 -79.76 118.98 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 64.96 45.41 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 153' ' ' SER . 17.9 t80 -84.13 153.23 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.423 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 40.9 t -78.78 112.85 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -132.76 105.5 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 52.57 33.04 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 93.87 -22.89 33.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 159' ' ' LEU . 22.8 m-20 -87.69 75.75 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' ASP . 90.6 mt -35.32 120.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 101' ' ' ASN . 3.8 mp -98.98 100.4 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.94 126.63 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -137.37 -179.2 5.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.1 pt -123.61 158.7 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.6 mt -109.78 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.434 HG12 ' CG ' ' A' ' 102' ' ' LEU . 22.4 t -104.96 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -103.71 159.93 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.2 t30 73.09 46.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' CG ' HG12 ' A' ' 99' ' ' VAL . 52.8 mt -89.48 156.23 48.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.96 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -88.78 -9.83 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 30.34 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -68.55 142.98 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -157.69 163.61 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.8 m -56.92 -60.51 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 108' ' ' CYS . 62.4 tt0 -34.41 -43.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.63 -47.04 80.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 108' ' ' CYS . 80.5 t -72.05 -57.94 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 3.1 t-160 -36.15 -63.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.42 -48.35 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 tp -50.83 -43.61 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.59 ' CD2' ' CE2' ' A' ' 149' ' ' PHE . 38.5 mt -95.17 41.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -65.4 -32.94 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 13.4 m-85 -90.99 163.61 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.73 131.32 36.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 120' ' ' LEU . 7.3 mp -102.51 128.05 49.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 1.3 mptp? -97.16 -34.21 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -159.51 138.17 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.3 t -131.46 110.05 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -117.99 113.07 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.64 129.61 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.57 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -59.92 -30.11 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.88 -33.49 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 130' ' ' ARG . 24.0 mttm -119.54 14.65 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 129' ' ' LYS . 33.6 mmt180 37.51 51.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.1 m -143.77 140.71 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.19 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -96.95 122.72 40.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.72 124.24 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.7 m -101.33 99.84 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.93 177.89 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.28 -64.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -117.32 170.58 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.33 -50.49 9.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.24 -47.75 84.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -62.62 -49.93 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 142' ' ' ALA . 32.4 mm-40 -37.12 -43.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -89.07 -51.28 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -47.07 -20.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.47 -57.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.0 mmt -75.31 -56.57 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.59 ' CE2' ' CD2' ' A' ' 115' ' ' LEU . 3.1 m-85 -66.74 -50.11 63.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 149' ' ' PHE . 13.8 t60 -34.1 131.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.415 ' HG2' ' CG ' ' A' ' 150' ' ' HIS . 8.6 mm100 69.44 37.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.4 t80 -94.0 144.8 25.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 24.6 t -76.58 106.45 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -134.28 104.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 57.58 27.37 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.1 -19.23 43.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -91.12 136.48 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -87.42 89.93 8.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 90.2 mt -47.39 133.03 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 55.7 mt -106.04 103.97 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.77 124.11 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.54 158.78 43.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -143.0 157.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.87 125.69 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 102' ' ' LEU . 18.1 t -97.19 97.45 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -104.9 159.17 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.8 t30 74.82 46.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 99' ' ' VAL . 48.7 mt -86.39 156.28 56.73 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -89.85 -30.1 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.06 36.57 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -69.51 149.73 47.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -155.4 169.5 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 52.7 t -73.64 -61.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 26.9 mt-30 -34.43 -47.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.02 -50.15 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' CYS . 88.2 t -61.62 -44.68 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -42.63 -62.52 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.63 -45.97 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.18 -45.38 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 149' ' ' PHE . 22.9 mt -95.37 36.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.2 ptpp? -59.24 -44.51 92.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 6.2 m-20 -47.66 -45.17 27.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 145' ' ' ALA . 6.4 m-85 -93.27 144.91 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.08 123.63 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.67 135.07 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -107.95 -39.65 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -151.64 130.23 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.41 129.04 44.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -129.47 113.76 15.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.41 126.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.56 90.9 3.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.44 -29.86 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -56.9 -44.3 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -112.19 14.27 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 42.21 53.45 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.7 m -140.49 141.25 35.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.12 120.09 30.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.35 115.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.07 128.47 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.5 m -105.97 102.07 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.13 175.08 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -114.75 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.87 -52.34 20.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -39.84 -43.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -56.72 -43.64 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -67.53 -51.52 49.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 53.9 mm-40 -34.99 -36.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.5 m-80 -90.63 -60.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.52 -35.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 57.5 mt -50.31 -67.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -68.1 -46.55 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.4 mmm -44.37 -41.29 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 115' ' ' LEU . 3.3 m-85 -92.84 -35.67 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.483 ' CE1' HE21 ' A' ' 151' ' ' GLN . 29.5 t60 -38.6 125.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.483 HE21 ' CE1' ' A' ' 150' ' ' HIS . 29.0 mm-40 68.15 42.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 153' ' ' SER . 47.8 t80 -87.88 164.28 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 40.8 t -91.19 109.16 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -153.11 105.89 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 64.02 36.53 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 60.78 23.93 61.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -116.28 169.49 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -110.03 73.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.06 119.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 72.7 mt -100.25 104.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.1 t -95.88 129.38 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -131.94 167.61 19.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 pt -138.34 161.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.77 130.99 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' HD23 ' A' ' 102' ' ' LEU . 19.1 t -104.57 91.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.28 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 t30 71.11 48.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 99' ' ' VAL . 80.9 mt -82.53 155.36 68.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.8 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.518 ' H ' ' NE2' ' A' ' 104' ' ' GLN . 1.4 pm0 -87.96 -26.05 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.9 p-10 -117.11 39.0 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 t -65.0 143.7 57.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 6.3 m-80 -153.0 156.78 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' VAL . 48.5 t -59.0 -62.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' CYS . 28.1 mm-40 -34.99 -42.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.77 -48.17 81.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' CYS . 82.2 t -71.34 -53.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.75 -56.99 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -61.97 -46.34 89.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.99 -39.93 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 149' ' ' PHE . 22.4 mt -98.66 46.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.13 71.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -58.64 -42.52 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.34 149.04 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.53 121.26 25.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -94.91 163.48 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -133.52 -44.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.15 130.21 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -129.81 102.73 6.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.79 125.44 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.9 t70 -119.23 90.55 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -59.44 -43.01 93.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.17 -43.57 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -109.52 2.22 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 126' ' ' ASP . 50.7 mtm-85 50.99 51.76 16.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 93.5 m -142.17 126.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.0 119.52 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -88.34 117.11 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.1 t -111.04 137.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 m -113.58 102.34 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.02 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -72.07 -50.1 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -136.15 168.15 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -70.58 -53.67 12.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -38.05 -45.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.324 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.79 -43.73 90.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.68 -50.6 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 33.5 mm-40 -35.19 -40.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -86.31 -58.42 2.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.98 -36.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 163' ' ' LEU . 36.7 mt -48.03 -64.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -71.0 -48.67 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 2.8 mtt -47.66 -31.13 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 115' ' ' LEU . 3.1 m-85 -105.28 -26.01 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 16.7 t60 -42.01 135.43 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.1 pt20 48.37 35.94 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.9 t80 -69.49 156.34 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.46 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 1.7 t -76.91 105.86 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 159' ' ' LEU . 22.2 t80 -144.78 105.66 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.423 ' NH2' ' OD2' ' A' ' 105' ' ' ASP . 31.0 mtt-85 56.2 35.78 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.83 70.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -114.45 144.66 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.312 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -91.65 64.9 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 154' ' ' PHE . 79.1 mt -38.93 122.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 78.4 mt -93.14 101.76 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.9 t -96.95 130.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -138.66 174.81 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 146' ' ' ILE . 6.1 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.1 pt -142.09 158.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.7 mt -106.69 125.31 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 102' ' ' LEU . 34.5 t -97.4 87.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -96.19 163.25 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 72.59 42.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.461 ' CD1' HG11 ' A' ' 99' ' ' VAL . 40.9 mt -87.78 157.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -81.65 -35.8 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.489 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 14.6 t70 -104.16 32.92 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -66.24 152.1 45.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 4.3 m-80 -158.22 166.33 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 111' ' ' VAL . 10.4 t -62.82 -60.12 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 39.6 tp60 -34.78 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.63 -48.65 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' CYS . 98.6 t -68.11 -53.47 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.2 t-160 -39.43 -61.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.5 -39.96 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.64 -45.15 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.4 mt -101.87 39.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -62.34 -48.14 81.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -39.39 -47.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.82 154.54 20.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.64 129.48 34.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 120' ' ' LEU . 8.3 mp -107.0 117.69 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -89.72 -48.17 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -147.29 146.93 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.75 129.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -124.07 102.68 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 108' ' ' CYS . 91.9 t -88.6 125.63 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -119.41 90.01 3.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -51.44 -46.7 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.7 -45.28 28.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 130' ' ' ARG . 21.3 mmtp -103.98 15.06 29.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER 33.62 54.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.9 m -146.44 141.74 27.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.02 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.67 113.89 26.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.4 t -106.58 134.1 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.3 m -109.25 104.78 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.3 mt -82.01 177.85 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.47 -51.44 43.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -140.03 178.57 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.01 -53.63 5.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' GLY . 18.3 mt-10 -36.13 -38.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -68.68 -46.14 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -67.36 -52.48 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 20.4 mm-40 -34.98 -32.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.8 m-80 -92.4 -62.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 144' ' ' ASN . . . -37.01 -38.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.458 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 47.5 mt -50.36 -65.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.24 -54.0 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 14.5 mtt -42.66 -38.8 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.86 -26.99 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 151' ' ' GLN . 15.5 t60 -45.16 126.85 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.542 ' HG2' ' CE1' ' A' ' 150' ' ' HIS . 6.9 mm100 66.93 43.05 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.487 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.9 t80 -86.72 160.54 18.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.487 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.7 t -86.95 109.94 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -151.93 112.31 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 54.8 42.7 30.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.03 55.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -122.89 157.32 32.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -104.71 79.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.32 125.41 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 88.4 mt -103.33 111.01 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 10.4 t -99.32 129.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -135.03 176.66 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 142' ' ' ALA . 32.0 pt -125.87 160.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.178 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.2 mt -106.06 134.5 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 102' ' ' LEU . 15.6 t -101.64 93.84 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -107.72 161.3 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.0 t30 71.8 43.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 99' ' ' VAL . 51.0 mt -84.0 156.36 63.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.9 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.361 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.1 pm0 -87.56 -29.87 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.9 m-20 -108.81 32.47 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 107' ' ' ASN . 8.3 t -63.7 147.18 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 37.2 m-80 -160.54 162.73 33.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 47.9 t -60.93 -56.77 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -38.4 -39.18 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.15 -48.08 66.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -66.27 -54.25 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -39.52 -60.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -56.41 -38.83 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.54 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.558 HD21 ' CE2' ' A' ' 149' ' ' PHE . 78.1 mt -91.27 45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -66.29 -36.55 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' A' ' 116' ' ' LYS . 22.7 m-20 -52.81 -44.98 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' CB ' ' A' ' 145' ' ' ALA . 4.9 m-85 -94.98 160.15 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.22 108.11 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.94 122.31 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -89.46 -34.85 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -160.92 139.7 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.77 129.51 38.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -133.52 103.2 5.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.38 130.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -114.76 114.81 26.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER -83.96 23.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.415 ' HA ' ' NH2' ' A' ' 127' ' ' ARG . 31.4 t30 -98.69 -54.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -117.02 10.63 14.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 62.6 43.04 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.9 m -123.32 133.83 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -124.05 125.4 44.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.32 117.35 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.21 129.88 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 90.6 m -108.68 116.36 31.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 142' ' ' ALA . 87.8 mt -85.96 177.62 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.9 -58.15 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.55 152.25 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.87 54.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -45.23 -44.79 11.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.356 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -53.7 -40.78 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.441 ' HB2' ' CG2' ' A' ' 97' ' ' ILE . . . -67.19 -54.08 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 142' ' ' ALA . 79.5 mm-40 -35.46 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -85.44 -60.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.544 ' CB ' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.36 -45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 150' ' ' HIS . 47.0 mt -42.77 -63.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -68.93 -57.36 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.7 mmt -41.24 -33.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.558 ' CE2' HD21 ' A' ' 115' ' ' LEU . 11.7 m-85 -104.28 -22.43 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 146' ' ' ILE . 13.4 t60 -42.99 148.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 151' ' ' GLN . 0.0 OUTLIER 32.74 42.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.557 ' CE2' ' O ' ' A' ' 153' ' ' SER . 10.5 t80 -76.59 161.51 28.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.557 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 9.3 t -77.32 106.04 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -148.97 122.67 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 46.82 45.73 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 54.41 27.22 40.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -126.88 173.35 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 77.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.2 mt -44.19 129.62 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 83.6 mt -101.0 113.56 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.3 t -102.26 130.03 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -134.38 179.0 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 163' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 pt -135.16 154.82 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.54 128.79 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' HD23 ' A' ' 102' ' ' LEU . 18.1 t -99.81 96.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -105.06 160.67 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.9 t30 72.34 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 99' ' ' VAL . 58.0 mt -90.33 155.84 46.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -163.32 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -86.41 -35.44 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.0 m-20 -107.29 36.05 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -68.74 138.95 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 5.7 m-80 -154.63 168.46 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -66.94 -55.3 15.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.2 mm-40 -34.23 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' CYS . 5.8 tp10 -81.44 -57.19 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.5 t -47.9 -48.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.537 ' CD2' HD21 ' A' ' 120' ' ' LEU . 11.4 t-80 -44.13 -63.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -50.07 -44.12 51.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 152' ' ' TYR . 63.2 tp -57.49 -47.36 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 149' ' ' PHE . 29.4 mt -98.52 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 17.8 ptmt -66.48 -46.41 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 9.4 m-20 -44.58 -46.0 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CZ ' ' HB1' ' A' ' 145' ' ' ALA . 20.3 m-85 -86.71 163.61 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -89.74 126.43 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 112' ' ' HIS . 6.9 mp -100.13 127.83 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -102.14 -47.86 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -148.28 140.16 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.11 128.42 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -130.61 105.46 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.9 t -83.75 128.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.15 97.2 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 9.1 mmp_? -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -45.69 -43.64 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -112.61 14.1 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 39.57 54.79 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.9 m -144.88 140.0 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.91 123.28 40.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.67 118.1 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.55 127.97 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.9 m -104.09 117.58 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 98.2 mt -88.72 173.63 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.445 ' HB3' ' NE2' ' A' ' 141' ' ' GLN . 45.0 tp -69.45 -68.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -115.31 164.38 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -64.6 -56.81 14.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 139' ' ' GLY . 15.9 tt0 -34.87 -49.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.445 ' NE2' ' HB3' ' A' ' 137' ' ' LEU . 9.8 mt-30 -51.61 -47.16 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -67.69 -52.12 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 142' ' ' ALA . 1.8 mp0 -34.79 -40.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 146' ' ' ILE . 13.8 m-80 -89.41 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.509 ' HB1' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.24 -26.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 144' ' ' ASN . 56.9 mt -61.81 -72.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.31 -41.5 89.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 148' ' ' MET . 0.9 OUTLIER -48.49 -41.93 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.453 ' CE2' HD23 ' A' ' 115' ' ' LEU . 3.2 m-85 -97.11 -25.94 15.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -41.27 128.38 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 62.63 47.33 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 153' ' ' SER . 49.9 t80 -93.04 154.83 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.556 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.1 t -73.15 117.56 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -151.98 107.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 51.89 35.04 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.86 -14.42 31.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -94.23 157.14 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.16 90.53 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.97 124.19 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.8 mm -99.69 107.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.23 129.0 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -129.45 164.05 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 161' ' ' VAL . 30.8 pt -151.26 156.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.1 mt -103.86 126.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.453 ' CG1' HD23 ' A' ' 102' ' ' LEU . 12.2 t -102.27 90.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.6 t30 72.52 51.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.453 HD23 ' CG1' ' A' ' 99' ' ' VAL . 33.5 mt -90.06 157.69 45.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -90.78 -32.24 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -106.23 33.38 3.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 33.4 t -62.89 148.61 46.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 39.5 m-80 -160.73 162.42 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.22 -55.44 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -40.73 -41.05 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.4 -47.86 77.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.12 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -40.63 -67.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.5 -46.24 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' CD1' ' CE2' ' A' ' 152' ' ' TYR . 51.4 tp -51.72 -48.76 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 149' ' ' PHE . 40.0 mt -99.42 28.65 4.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -51.23 -45.39 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -44.73 -44.37 9.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.472 ' CE1' ' HB1' ' A' ' 145' ' ' ALA . 12.6 m-85 -94.52 165.08 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.64 128.51 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 120' ' ' LEU . 6.7 mp -101.45 122.68 44.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -94.86 -40.61 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -148.31 138.33 22.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 8.0 p -137.52 125.8 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -127.85 98.94 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.97 128.33 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.95 110.86 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -73.69 -44.34 56.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -49.42 -41.61 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -113.45 14.72 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' LYS . 61.5 mtm-85 35.9 54.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.1 m -137.92 137.17 37.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.3 118.74 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.69 115.79 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.87 137.4 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.7 m -112.98 101.7 9.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 142' ' ' ALA . 88.1 mt -72.62 -179.22 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 24.0 tp -80.46 -59.48 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -117.57 152.12 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.14 -51.62 55.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 36.4 tt0 -42.35 -43.06 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -58.63 -42.15 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.46 ' CB ' HD11 ' A' ' 136' ' ' LEU . . . -63.93 -56.43 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 142' ' ' ALA . 2.0 mp0 -35.74 -38.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 32.3 m-80 -87.23 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 118' ' ' TYR . . . -36.57 -44.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.4 mt -47.27 -54.89 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 148' ' ' MET . 4.1 tt0 -71.37 -62.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 147' ' ' GLN . 6.9 mmm -38.2 -35.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 115' ' ' LEU . 3.1 m-85 -92.66 -39.47 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.3 t60 -38.43 131.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 32.5 mt-30 63.63 42.97 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 153' ' ' SER . 19.5 t80 -89.73 155.42 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 15.3 t -84.82 110.4 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -149.67 108.12 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 63.98 36.49 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 64.32 18.56 63.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -115.77 173.15 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.47 84.07 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.1 mt -48.4 131.86 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 81.8 mt -107.2 101.23 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 97' ' ' ILE . 4.5 t -96.35 124.02 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.93 171.62 14.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.451 HD13 ' CG1' ' A' ' 161' ' ' VAL . 39.4 pt -139.26 152.93 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.85 133.49 52.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.416 HG11 ' CG ' ' A' ' 102' ' ' LEU . 20.7 t -105.77 88.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -89.74 162.61 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.0 t30 72.97 49.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' CG ' HG11 ' A' ' 99' ' ' VAL . 38.6 mt -97.43 157.34 34.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.18 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -94.76 -22.47 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.3 34.72 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -66.85 150.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -156.99 161.68 39.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.21 -50.26 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -38.45 -32.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.55 -51.71 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' HIS . 95.3 t -60.84 -55.04 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' VAL . 15.5 t-80 -34.61 -49.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.22 -48.39 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 111' ' ' VAL . 21.5 tp -50.34 -53.15 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -93.73 30.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -52.98 -44.95 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -51.52 -48.52 62.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.55 148.83 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -76.54 142.12 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 120' ' ' LEU . 6.9 mp -113.77 116.83 30.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -89.65 -35.3 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -158.11 137.41 11.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.9 p -139.87 128.97 23.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.99 111.75 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.2 t -98.39 127.96 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.84 89.1 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.28 -24.61 29.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' ARG . 51.1 mttt -117.07 17.51 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' LYS . 3.4 mpt_? 33.43 54.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.4 ' CA ' HD11 ' A' ' 102' ' ' LEU . 87.5 m -149.69 128.13 12.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.8 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.78 117.37 30.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.92 137.88 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.3 m -116.94 101.58 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.1 -179.35 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.55 -67.54 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -124.25 179.54 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.66 -52.28 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -39.33 -39.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.39 -45.28 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.25 -50.13 64.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 17.6 mm-40 -37.22 -33.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 142' ' ' ALA . 47.9 m-80 -92.77 -59.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -40.41 -42.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 19.3 mt -44.74 -61.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 146' ' ' ILE . 3.1 mp0 -71.26 -49.29 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.8 mmt -50.09 -20.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -122.38 -10.98 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 5.6 t60 -51.08 139.05 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 9.3 pt20 43.96 51.95 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 153' ' ' SER . 11.0 t80 -86.05 159.04 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.574 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 10.5 t -74.44 107.62 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.46 ' CD1' HD11 ' A' ' 159' ' ' LEU . 22.3 t80 -133.53 102.85 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 47.62 35.14 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.82 -26.23 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -86.18 146.54 26.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -97.92 102.11 13.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 154' ' ' PHE . 23.5 mt -58.25 129.25 41.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.02 104.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 97' ' ' ILE . 2.7 t -94.29 126.42 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.94 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -138.01 157.14 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.37 132.93 50.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 102' ' ' LEU . 19.1 t -109.49 88.02 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -94.12 165.49 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 68.84 52.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.429 ' CD1' HG12 ' A' ' 99' ' ' VAL . 45.1 mt -97.03 156.37 36.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -174.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.25 -31.77 33.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 5.1 t0 -103.57 26.06 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -59.29 141.33 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 20.2 m-80 -152.3 165.53 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 12.9 t -63.79 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 10.6 tt0 -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.62 -53.89 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.4 -49.21 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.32 -59.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.39 -41.85 85.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.44 -39.96 77.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.82 40.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 11.6 ptpt -62.39 -48.34 80.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 5.1 m-20 -41.87 -46.64 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 145' ' ' ALA . 19.3 m-85 -88.3 162.03 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.81 125.8 36.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.22 131.97 44.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 137' ' ' LEU . 1.3 mptp? -103.13 -49.4 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -143.91 136.34 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -132.13 129.14 39.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -132.16 98.02 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.67 126.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.7 m-20 -119.04 92.32 3.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -60.05 -43.49 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -46.76 -34.32 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -123.1 14.27 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 126' ' ' ASP . 61.1 mtm180 38.59 54.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.6 m -142.68 117.73 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.5 125.04 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -92.37 119.64 32.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.45 132.84 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.7 m -110.3 106.79 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.0 mt -79.25 176.96 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.455 ' HA ' ' CE ' ' A' ' 121' ' ' LYS . 20.6 tp -67.31 -62.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' CB ' ' OE2' ' A' ' 140' ' ' GLU . 86.0 m-20 -121.24 171.44 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.42 -47.05 11.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 141' ' ' GLN . 24.4 pm0 -47.19 -33.86 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.466 ' N ' ' HG2' ' A' ' 140' ' ' GLU . 5.6 mt-30 -69.9 -41.06 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -71.21 -49.39 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' ALA . 42.0 mm-40 -35.43 -33.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 142' ' ' ALA . 56.7 m-80 -95.74 -57.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.409 ' HB3' ' CE1' ' A' ' 118' ' ' TYR . . . -44.18 -22.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 150' ' ' HIS . 38.8 mt -71.21 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -60.16 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 68.5 mmm -56.14 -51.89 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -87.52 -17.19 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.9 t60 -49.25 127.55 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.507 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 69.8 mt-30 66.0 45.27 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -97.32 149.57 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 25.4 t -74.05 120.85 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -153.75 106.96 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 64.05 27.2 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.4 -29.39 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -87.11 163.86 16.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -107.64 102.72 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.9 mt -56.07 128.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 28.0 mm -105.94 104.0 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.21 127.62 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -142.04 172.95 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.452 HD21 ' N ' ' A' ' 163' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 pt -144.21 159.89 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.68 141.9 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 102' ' ' LEU . 24.9 t -112.4 87.32 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -93.9 162.55 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.7 t30 72.53 43.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 159' ' ' LEU . 49.1 mt -84.84 156.65 61.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.81 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -89.71 -31.81 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.7 p-10 -108.26 35.33 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 28.5 t -63.51 156.29 26.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 48.6 m-80 -161.64 162.37 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 109' ' ' GLN . 44.0 t -70.97 -61.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.5 tp60 -34.32 -40.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.77 -52.62 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 108' ' ' CYS . 86.7 t -61.17 -53.34 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -37.77 -54.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.05 -43.79 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.5 ' CD2' ' CE2' ' A' ' 149' ' ' PHE . 29.4 mt -95.89 29.45 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -41.53 40.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -45.55 -51.13 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -94.61 157.3 16.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.09 135.68 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 120' ' ' LEU . 6.4 mp -108.9 120.52 42.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -88.29 -56.08 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -137.12 139.68 41.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.07 126.78 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -124.25 101.47 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.26 127.06 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' ARG . 9.5 m-20 -120.03 95.85 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -58.59 -42.74 88.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -50.85 -39.66 54.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 130' ' ' ARG . 19.7 mttm -113.59 15.89 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 129' ' ' LYS . 1.6 mpp_? 33.72 55.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 74.0 m -142.28 133.1 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 102' ' ' LEU . . . -119.85 126.42 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -93.52 113.3 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.24 123.6 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.4 m -101.12 103.02 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 78.1 mt -76.25 172.74 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.7 -59.04 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -117.56 157.92 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.22 65.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -43.24 -46.59 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.16 -47.03 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.05 -49.43 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 63.1 mm-40 -34.89 -40.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -60.98 -67.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.54 -44.32 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 18.9 mtp -45.62 -42.68 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 115' ' ' LEU . 3.1 m-85 -93.48 -33.62 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' PHE . 68.5 t60 -36.97 125.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 66.94 40.8 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 153' ' ' SER . 40.7 t80 -84.71 161.95 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 1.7 t -86.38 110.38 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -152.6 114.66 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 52.52 40.52 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.54 24.99 57.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -119.49 166.32 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.28 69.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 102' ' ' LEU . 84.5 mt -38.04 125.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.38 106.53 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 3.8 t -95.92 134.16 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.87 172.07 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.401 HG23 ' CG1' ' A' ' 146' ' ' ILE . 23.7 pt -143.73 151.94 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.4 mt -105.95 127.14 52.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.536 ' CG1' ' CD2' ' A' ' 102' ' ' LEU . 20.6 t -96.63 94.94 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -101.12 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 37.5 t30 69.24 53.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.536 ' CD2' ' CG1' ' A' ' 99' ' ' VAL . 85.4 mt -91.59 153.69 44.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -164.78 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -87.97 -26.49 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -111.99 33.31 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 t -70.07 145.33 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -160.08 169.08 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -59.44 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 92.4 mm-40 -34.99 -40.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.95 -53.69 50.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -46.36 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -40.48 -63.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.37 -46.08 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.05 -45.27 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.45 41.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.5 ptmm? -64.13 -43.82 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 25.8 t0 -48.08 -45.62 32.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CE2' ' HB1' ' A' ' 145' ' ' ALA . 7.1 m-85 -90.23 148.31 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.6 127.53 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.03 125.03 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -88.56 -40.8 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.75 134.69 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.5 t -130.29 118.74 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.62 118.69 23.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.0 t -95.03 132.38 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -118.98 89.81 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -59.04 -41.47 87.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.79 -42.81 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -112.31 13.05 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 41.59 53.95 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.3 m -147.98 132.76 17.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -116.42 128.83 55.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.39 122.38 34.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.58 125.99 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.2 m -105.93 101.84 11.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.74 -179.83 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.45 -61.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -121.69 175.56 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.77 -56.98 3.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -37.68 -37.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -66.41 -46.03 77.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 139' ' ' GLY . . . -71.59 -52.2 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' ALA . 27.8 mm-40 -35.13 -34.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 142' ' ' ALA . 5.4 m-80 -94.55 -54.54 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 118' ' ' TYR . . . -44.73 -30.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 150' ' ' HIS . 32.6 mt -60.09 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -64.83 -44.03 91.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 mtt -49.76 -34.25 18.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -105.86 -18.07 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.515 ' CD2' ' OE1' ' A' ' 151' ' ' GLN . 9.4 t60 -48.49 128.91 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' A' ' 150' ' ' HIS . 25.0 mt-30 65.2 42.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -92.97 150.29 20.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.42 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 23.2 t -76.58 124.72 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.473 ' CG ' HD12 ' A' ' 159' ' ' LEU . 14.2 t80 -156.08 106.41 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 64.85 26.51 12.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.73 -25.05 14.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -88.99 156.64 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.99 95.9 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 154' ' ' PHE . 52.1 mt -54.47 125.31 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 81.9 mt -103.23 106.04 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.68 126.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -131.51 174.63 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 24.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 142' ' ' ALA . 40.3 pt -140.29 152.17 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 mt -103.2 131.68 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 102' ' ' LEU . 20.0 t -102.16 100.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -106.83 156.99 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.0 t30 74.96 47.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 99' ' ' VAL . 37.7 mt -88.66 157.33 49.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.403 ' CB ' ' HD3' ' A' ' 155' ' ' ARG . 53.7 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.94 -37.37 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.4 t70 -100.24 31.7 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 1.0 OUTLIER -68.36 150.96 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 14.0 m-80 -162.64 167.43 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 110' ' ' GLU . 1.7 m -70.81 -58.83 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' CYS . 15.1 mt-30 -33.97 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 108' ' ' CYS . 10.3 tp10 -76.45 -48.77 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 108' ' ' CYS . 97.2 t -63.21 -47.27 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.1 t-160 -38.39 -60.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -57.93 -42.64 85.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.9 -49.37 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 149' ' ' PHE . 31.3 mt -95.3 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 20.9 pttp -68.62 -42.9 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 38.3 m-20 -48.62 -47.94 39.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -89.32 166.62 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.13 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.49 122.19 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -94.06 -43.12 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 124' ' ' TYR . 76.4 t80 -147.51 135.28 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.8 t -132.79 105.7 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 122' ' ' TYR . 79.5 t80 -117.24 112.5 20.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.52 139.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.54 137.36 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -29.12 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.02 -33.27 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -102.66 -5.4 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 43.31 45.86 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 75.9 m -134.62 139.2 45.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.57 118.17 29.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.25 117.99 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.93 118.88 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.6 m -97.89 106.88 19.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.24 174.71 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.42 ' HG ' ' ND2' ' A' ' 138' ' ' ASN . 54.7 tp -72.14 -58.82 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.42 ' ND2' ' HG ' ' A' ' 137' ' ' LEU . 8.5 m-80 -118.75 169.0 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.79 -50.48 7.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -44.86 -34.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -63.11 -44.5 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 97' ' ' ILE . . . -71.24 -49.12 46.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 8.3 mm-40 -36.46 -38.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -88.71 -61.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.42 -45.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.459 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 34.3 mt -44.25 -59.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' MET . 5.0 tt0 -69.85 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 147' ' ' GLN . 13.8 mmt -38.03 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.562 ' CE2' HD22 ' A' ' 115' ' ' LEU . 3.1 m-85 -90.88 -40.03 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -37.54 124.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 66.22 41.72 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.505 ' CG ' ' N ' ' A' ' 153' ' ' SER . 38.4 t80 -90.01 162.43 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 6.9 t -82.8 103.36 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.456 ' CG ' HD13 ' A' ' 159' ' ' LEU . 40.4 t80 -142.54 107.79 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 103' ' ' PRO . 23.8 mtp85 55.13 42.75 30.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 55.86 27.29 49.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -118.95 174.93 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -115.67 76.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 154' ' ' PHE . 75.1 mt -46.14 125.14 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 61.7 mt -103.67 105.98 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 14.3 t -97.44 128.86 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.65 175.13 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.409 HD12 ' CG1' ' A' ' 161' ' ' VAL . 44.0 pt -142.78 161.5 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.1 mt -108.52 132.96 53.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' HD23 ' A' ' 102' ' ' LEU . 19.1 t -99.28 92.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 72.03 48.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.457 HD23 ' CG1' ' A' ' 99' ' ' VAL . 51.0 mt -88.88 156.53 49.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.228 . . . . 0.0 112.36 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -84.93 -28.22 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.1 t70 -114.64 37.97 3.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 2.9 t -69.24 153.92 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 106' ' ' SER . 31.5 m-80 -162.22 168.18 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 20.4 t -63.82 -61.17 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 45.0 mm-40 -34.73 -41.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.75 -51.51 66.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 112' ' ' HIS . 85.2 t -68.41 -55.43 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' VAL . 44.2 t-80 -35.59 -60.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.86 -42.27 79.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.67 -52.01 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 149' ' ' PHE . 27.0 mt -86.49 26.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -49.62 -49.92 45.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -40.94 -47.47 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.416 ' CZ ' ' HB1' ' A' ' 145' ' ' ALA . 2.3 m-85 -91.23 146.76 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.51 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.26 130.2 42.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -100.59 -38.32 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -161.0 136.86 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -131.33 129.0 40.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -127.98 101.48 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.73 121.09 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.11 89.13 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -54.51 -42.98 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -43.41 -45.04 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -112.03 14.99 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 41.11 47.37 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.2 m -133.02 136.16 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . . . -121.58 113.42 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -81.76 106.56 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -106.9 132.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 94.7 m -112.28 103.33 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.4 178.68 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.5 tp -71.61 -58.54 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -127.47 177.21 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -75.81 -54.47 5.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.3 mm-40 -36.97 -44.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.61 -47.99 82.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.92 -53.03 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 142' ' ' ALA . 9.9 mm-40 -34.98 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.9 m-80 -95.35 -59.98 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.416 ' HB1' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.89 -31.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.57 -58.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.56 -35.43 80.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.4 mtp -68.42 -54.76 14.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.571 ' CE2' HD22 ' A' ' 115' ' ' LEU . 4.6 m-85 -65.65 -48.08 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.499 ' CE1' HE21 ' A' ' 151' ' ' GLN . 36.0 t60 -31.76 127.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.499 HE21 ' CE1' ' A' ' 150' ' ' HIS . 32.7 mm-40 68.22 40.09 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 153' ' ' SER . 35.2 t80 -87.26 160.12 18.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 10.5 t -91.3 103.66 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.458 ' CB ' HD11 ' A' ' 159' ' ' LEU . 47.1 t80 -145.15 110.74 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 58.34 45.66 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 53.31 28.35 34.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -128.69 155.65 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.52 77.58 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 154' ' ' PHE . 65.4 mt -44.59 126.48 5.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 37.0 mm -99.85 117.29 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.418 HG23 ' CB ' ' A' ' 149' ' ' PHE . 20.5 t -106.85 128.64 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -131.4 172.82 11.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 pt -139.23 154.16 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.35 131.39 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' HD23 ' A' ' 102' ' ' LEU . 17.9 t -99.57 97.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -108.68 156.55 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.0 t30 74.11 48.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD23 ' CG1' ' A' ' 99' ' ' VAL . 46.5 mt -88.51 156.65 50.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -90.05 -31.08 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.3 m-20 -108.9 35.15 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -71.11 151.36 44.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 1.7 m-80 -157.92 156.64 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 111' ' ' VAL . 40.8 t -63.52 -58.94 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' CYS . 66.6 mt-30 -34.91 -36.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' CYS . 6.5 tp10 -72.96 -48.41 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' CYS . 89.8 t -63.0 -40.71 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -47.68 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -52.3 -41.65 63.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.46 -53.76 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 39.9 mt -88.01 39.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 25.3 pttm -61.82 -45.22 94.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 45.9 m-20 -46.23 -46.09 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.59 143.19 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.78 120.96 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.42 128.82 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -96.38 -44.39 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 145.74 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.73 131.28 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -138.5 111.28 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.9 t -91.99 144.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.44 148.79 38.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -103.96 -24.64 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -74.26 -44.61 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' ARG . 42.6 mttt -112.68 14.53 20.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' LYS . 29.7 mmm180 36.2 51.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 m -129.36 142.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.31 127.75 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.03 124.1 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.01 135.17 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 91.5 m -109.12 106.17 15.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.23 179.0 6.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 46.2 tp -82.74 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -111.76 153.38 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.63 -47.36 77.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.81 -34.92 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.92 -44.95 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -65.76 -51.1 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 66.1 mm-40 -35.02 -41.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.97 -56.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.92 -27.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 163' ' ' LEU . 33.1 mt -58.71 -64.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -71.72 -42.63 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 19.5 mmm -47.13 -33.96 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 115' ' ' LEU . 5.7 m-85 -100.85 -41.33 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -34.74 126.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.74 48.96 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' TYR . . . . . 0.453 ' CG ' ' N ' ' A' ' 153' ' ' SER . 37.7 t80 -91.63 160.66 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 30.8 t -85.52 99.74 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.443 ' CB ' HD13 ' A' ' 159' ' ' LEU . 21.7 t80 -145.85 114.42 6.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 55.77 41.53 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.36 13.13 14.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -108.58 170.67 7.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.78 77.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 154' ' ' PHE . 75.1 mt -44.87 118.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 82.8 mt -94.54 104.16 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 149' ' ' PHE . 20.3 t -97.06 127.46 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -132.55 175.54 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 146' ' ' ILE . 6.0 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -120.0 -55.04 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -68.03 148.62 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.49 -175.76 14.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.5 m -75.59 81.42 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 m -86.78 82.15 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . 171.34 152.19 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.0 pt -140.54 157.48 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.1 mt -108.59 127.38 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 102' ' ' LEU . 21.2 t -96.86 97.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.42 170.05 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.4 t30 60.35 52.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.423 ' CD2' ' CG1' ' A' ' 99' ' ' VAL . 60.7 mt -91.92 152.96 43.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -168.04 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -86.81 -28.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -105.1 24.16 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -65.81 140.14 58.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -152.97 166.3 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.33 -52.4 62.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -41.07 -33.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.81 -44.9 19.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.56 -51.91 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -46.58 -55.94 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -39.74 81.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.7 tp -56.62 -51.11 69.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 38.3 mt -91.65 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -41.63 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -49.86 -42.28 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 145' ' ' ALA . 30.4 m-85 -93.59 163.57 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.05 112.01 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 mp -86.1 139.29 31.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -105.54 -37.99 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -154.34 150.19 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -140.4 129.33 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -131.1 98.95 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.28 129.19 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.6 t0 -119.88 88.96 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -54.55 -48.47 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -45.87 9.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -109.53 14.19 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 126' ' ' ASP . 67.8 mtm-85 38.23 53.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.6 m -138.07 130.98 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.09 114.19 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.66 117.74 23.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -113.19 136.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.6 m -110.48 99.38 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.5 mt -71.37 -178.1 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.68 -64.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -115.52 165.59 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.99 -50.39 29.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.6 -44.69 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -53.34 -47.0 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -62.96 -57.84 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' ALA . 10.0 mm-40 -35.16 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 142' ' ' ALA . 2.6 m-80 -95.73 -56.95 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.5 ' HB3' ' CE2' ' A' ' 118' ' ' TYR . . . -42.97 -34.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 58.5 mt -53.41 -68.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.82 -41.4 87.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 8.0 mmt -55.58 -26.71 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.07 -10.92 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 7.1 t60 -52.57 139.72 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.8 pt20 45.68 32.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 153' ' ' SER . 30.8 t80 -66.21 160.01 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 2.3 t -80.65 110.46 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.454 ' CB ' HD12 ' A' ' 159' ' ' LEU . 41.7 t80 -151.42 109.81 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? 58.47 42.26 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 61.97 15.6 49.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.02 171.13 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.64 83.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 154' ' ' PHE . 95.5 mt -47.87 116.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 63.0 mt -93.76 117.16 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.78 131.44 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -132.49 175.99 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.24 165.88 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.407 ' HG3' ' C ' ' A' ' 96' ' ' GLY . 14.2 mt-30 -83.98 159.21 60.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 166' ' ' THR . 54.2 Cg_endo -69.75 -25.21 28.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 165' ' ' PRO . 98.5 m -34.17 96.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 165' ' ' PRO . 3.4 p30 -125.95 161.91 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -98.2 33.13 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 14.9 tp 46.85 50.54 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.87 84.33 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 26.3 p -53.06 -46.43 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 9.2 m -143.64 176.1 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -156.6 66.76 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.6 36.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 24.8 t -42.29 105.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 53.5 p 46.3 42.77 10.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.448 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 m -70.99 124.44 24.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.838 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 m -144.36 174.42 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -57.53 138.67 47.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.2 p -105.15 143.58 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.808 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -64.72 163.24 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.85 117.43 3.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 pt -128.92 150.09 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.6 mt -104.59 133.08 50.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' CD2' ' A' ' 102' ' ' LEU . 18.6 t -102.71 95.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HD2' ' NE2' ' A' ' 162' ' ' GLN . 65.5 mttt -101.13 157.33 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t30 74.07 51.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD2' ' CG1' ' A' ' 99' ' ' VAL . 82.9 mt -93.05 153.84 41.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -166.16 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -92.21 -8.7 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.3 p30 -122.53 22.93 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 t -58.46 138.0 56.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 46.1 m-80 -150.4 162.37 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLN . 37.8 t -62.74 -58.16 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' CYS . 35.0 mt-30 -37.66 -38.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.61 -56.76 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.4 t -59.94 -51.46 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -41.99 -61.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.23 -38.3 82.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.3 -49.0 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 149' ' ' PHE . 44.1 mt -98.02 41.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.92 -39.39 81.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -49.85 -36.58 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.64 166.57 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.09 119.58 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.68 132.12 37.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -100.32 -42.4 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -149.38 143.04 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.24 136.27 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 114.19 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.78 129.39 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.73 89.67 3.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -50.45 -38.16 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -50.99 -56.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -97.16 12.32 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 39.26 52.91 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.8 m -139.76 135.94 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -118.08 134.16 55.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.64 118.02 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -118.01 130.42 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.2 m -111.2 103.22 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.87 -179.11 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 30.0 tp -73.32 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.44 165.48 14.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -72.54 -50.65 14.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 33.5 tt0 -42.44 -35.8 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.41 -37.08 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' GLY . . . -68.1 -50.07 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -41.6 -29.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 23.0 m-80 -93.54 -58.85 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.61 -31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 62.7 mt -55.53 -69.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.7 mtt -58.98 -20.5 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.436 ' CZ ' HD21 ' A' ' 115' ' ' LEU . 12.7 m-85 -125.67 -5.98 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -54.76 138.54 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 159' ' ' LEU . 6.5 pt20 41.45 46.58 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 153' ' ' SER . 7.4 t80 -80.03 158.68 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 19.7 t -78.27 97.12 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.03 108.66 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 52.45 28.42 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.38 -20.62 39.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -87.58 139.99 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -91.41 73.25 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 151' ' ' GLN . 26.6 mt -36.98 139.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 32.4 mm -110.21 121.19 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.12 126.31 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.462 ' NE2' ' HD2' ' A' ' 100' ' ' LYS . 7.0 pt20 -140.52 166.82 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.76 157.13 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -62.02 154.76 67.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 166' ' ' THR . 54.0 Cg_endo -69.74 -9.05 25.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' PRO . 27.6 m -34.54 115.95 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -117.91 123.92 47.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -158.56 119.14 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 13.9 mt -140.4 129.25 23.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 15.9 tp -106.8 106.06 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.7 t -121.35 -57.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 75.5 m -122.37 123.73 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 178.95 -174.34 46.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -27.46 26.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 49.1 m -40.64 116.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.0 m -171.1 163.73 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 t -54.6 157.93 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.3 m -92.51 -58.54 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.05 -129.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -155.86 123.16 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.6 p -72.3 161.92 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.446 ' CA ' ' OE1' ' A' ' 164' ' ' GLN . . . 100.02 122.32 4.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.61 150.43 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD2' ' CD2' ' A' ' 133' ' ' PHE . 53.2 mt -106.19 140.04 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 102' ' ' LEU . 17.5 t -108.16 85.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.81 178.29 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.4 t30 61.23 45.35 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 99' ' ' VAL . 72.5 mt -88.36 152.23 49.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -92.66 -16.1 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 2.7 m-20 -120.72 33.79 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 t -64.07 150.41 45.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 3.3 m-80 -156.83 158.53 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 16.7 t -67.66 -63.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 20.6 tt0 -34.38 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER -67.49 -57.42 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 96.2 t -64.17 -53.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' VAL . 6.0 t-80 -34.47 -52.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -41.64 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . 9.9 tp -54.87 -45.37 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.475 HD22 ' CE2' ' A' ' 149' ' ' PHE . 40.7 mt -98.54 48.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -71.05 -39.75 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.87 -46.22 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.493 ' CE2' ' HB1' ' A' ' 145' ' ' ALA . 11.8 m-85 -85.03 148.83 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.34 122.62 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.16 148.81 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -121.63 -37.38 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -153.31 124.76 7.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 t -120.29 121.42 38.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -134.29 107.23 7.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.3 127.71 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.5 t0 -118.25 90.07 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 128' ' ' ASN . 25.6 ptt180 -58.15 -44.28 87.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 127' ' ' ARG . 38.4 t30 -53.58 -38.53 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 130' ' ' ARG . 23.5 mttt -110.42 11.75 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' ASP . 32.3 mtp180 36.29 54.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 94.4 m -145.46 122.87 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -105.87 120.34 41.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 51.7 m-85 -86.27 114.75 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -120.29 109.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.9 m -86.4 107.24 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.21 172.63 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.19 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -114.38 165.36 12.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -65.33 -57.94 10.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 139' ' ' GLY . 8.6 tm-20 -35.48 -49.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -52.24 -44.44 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -66.18 -59.66 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 139' ' ' GLY . 1.1 mp0 -35.41 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.3 m-80 -95.79 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 118' ' ' TYR . . . -37.63 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 144' ' ' ASN . 72.0 mt -62.79 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.93 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 35.1 mmt -51.56 -39.07 57.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.475 ' CE2' HD22 ' A' ' 115' ' ' LEU . 5.3 m-85 -101.5 -16.32 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.22 132.86 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 62.01 39.54 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 1.6 t -75.38 120.07 20.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.43 ' CG ' HD12 ' A' ' 159' ' ' LEU . 20.3 t80 -152.53 109.48 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 52.98 26.57 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 89.49 -16.19 56.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -93.31 156.17 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' LEU . 19.5 m-20 -98.89 80.26 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 158' ' ' ASP . 41.8 mt -35.44 132.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.9 mm -107.02 104.13 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -93.3 129.81 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -140.15 -179.37 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.29 164.96 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.446 ' OE1' ' CA ' ' A' ' 96' ' ' GLY . 26.9 mt-30 -106.36 158.94 31.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.84 15.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 55.7 m -135.31 119.33 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.09 100.8 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.92 179.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' A' ' 169' ' ' LEU . 3.3 pp -115.79 114.37 24.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 68.7 mt 38.7 38.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.3 t -143.33 106.95 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 5.4 t -136.74 134.57 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 41.83 69.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.53 25.73 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 78.0 p -69.15 167.78 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.3 t -55.6 -57.61 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.0 p -109.86 42.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.9 p -91.98 101.95 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.01 101.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 m -71.58 84.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.7 p -91.03 112.7 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.66 141.67 3.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 pt -137.83 153.39 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -107.87 132.53 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.0 t -104.24 92.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -102.51 162.16 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.2 t30 70.9 51.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.9 mt -91.9 155.0 43.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -166.96 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.98 -31.06 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 m-20 -105.48 29.75 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 t -63.04 140.73 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 64.7 m-80 -149.42 172.98 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 11.0 t -71.96 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 27.0 mm-40 -38.18 -39.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 5.9 mp0 -64.08 -48.57 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.34 -42.49 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.483 ' CD2' HD22 ' A' ' 120' ' ' LEU . 4.4 m170 -47.08 -63.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.69 -42.65 64.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.2 tp -57.07 -52.18 66.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.557 HD22 ' CE2' ' A' ' 149' ' ' PHE . 28.0 mt -94.31 44.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -66.26 -45.87 79.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.54 -51.0 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -82.33 174.84 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -110.78 104.72 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' A' ' 112' ' ' HIS . 4.6 mp -74.19 130.35 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -102.29 -45.69 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -136.17 119.83 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.57 112.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -125.3 105.88 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.88 125.65 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.94 89.67 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -57.64 -42.1 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -46.84 -43.01 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -113.63 14.43 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 28.7 mtm-85 39.24 51.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -138.66 125.33 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -114.18 115.48 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -83.06 117.63 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.34 117.56 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -95.24 113.73 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.8 mt -81.1 169.13 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.84 -62.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -117.57 176.01 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.63 -50.52 6.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -44.85 -48.1 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -51.02 -41.3 59.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -69.87 -55.38 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 96.1 mm-40 -34.93 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 142' ' ' ALA . 61.5 m-80 -94.5 -58.72 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.01 -39.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 150' ' ' HIS . 43.5 mt -50.94 -67.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -65.08 -50.5 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 6.9 mmt -45.74 -39.54 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 115' ' ' LEU . 4.2 m-85 -96.91 -21.93 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 146' ' ' ILE . 17.4 t60 -48.75 132.38 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.4 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 84.0 mt-30 59.35 46.08 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CE2' ' O ' ' A' ' 153' ' ' SER . 47.2 t80 -92.57 148.47 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.411 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 31.8 t -74.59 120.43 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -156.04 116.82 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 55.14 28.21 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.76 -19.68 23.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -90.66 170.76 9.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -112.9 94.19 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 65.6 mt -50.09 119.46 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 77.6 mt -94.9 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 132.31 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.83 174.5 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 20.3 tp -98.59 155.26 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 56.5 mt-30 -78.33 143.85 65.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 167' ' ' ASP . 54.0 Cg_endo -69.76 -8.07 22.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.1 m -39.03 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 165' ' ' PRO . 0.6 OUTLIER -131.99 96.18 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -48.12 154.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.87 -24.95 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.94 173.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 3.2 t -139.39 128.43 23.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.2 t -42.34 -48.41 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 73.17 145.75 0.74 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -114.97 169.27 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 44.6 m -153.97 146.72 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.1 p -42.46 156.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.3 p -63.05 145.31 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.13 112.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -92.76 114.46 27.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.7 p -75.45 144.86 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.55 149.14 8.4 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.2 pt -149.45 153.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 164' ' ' GLN . 66.5 mt -106.98 131.08 54.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 102' ' ' LEU . 24.0 t -106.43 87.92 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -96.7 160.19 14.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.1 t30 73.77 47.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 99' ' ' VAL . 38.4 mt -91.51 156.6 43.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -95.09 -26.91 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.3 m-20 -108.1 30.19 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 5.6 t -62.39 158.16 18.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 42.6 m-80 -162.37 158.46 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.71 -56.92 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.16 -37.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.71 -46.68 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.1 -37.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -49.17 -60.44 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -44.53 65.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.0 tp -55.25 -46.51 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.95 45.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 -30.01 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 -39.24 75.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 145' ' ' ALA . 12.3 m-85 -100.65 159.45 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.97 116.87 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 120' ' ' LEU . 7.9 mp -90.82 126.18 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -92.81 -55.45 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -133.02 136.13 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -133.36 129.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -136.53 106.53 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.91 127.84 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -119.75 89.95 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -55.83 -41.8 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -47.33 -43.78 23.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -110.4 14.17 22.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 39.97 50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -141.66 133.61 27.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.76 43.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.85 121.5 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.03 126.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 65.1 m -105.03 103.21 12.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.75 177.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.81 -61.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -123.54 177.37 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -77.57 -57.24 3.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.8 mt-10 -37.16 -41.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -63.04 -44.1 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 139' ' ' GLY . . . -67.87 -51.69 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 24.8 mm-40 -35.95 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 142' ' ' ALA . 45.1 m-80 -96.97 -58.61 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.428 ' HB1' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.41 -27.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.421 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 38.2 mt -61.86 -66.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 -49.66 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 80.2 mmm -41.43 -40.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.64 -30.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -39.7 126.93 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 68.89 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 153' ' ' SER . 56.5 t80 -92.76 148.1 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.53 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 15.7 t -77.39 120.54 22.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.417 ' CG ' HD11 ' A' ' 159' ' ' LEU . 38.8 t80 -149.79 119.65 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 49.75 26.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 92.62 -24.38 23.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -90.14 151.49 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -93.39 99.01 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.417 HD11 ' CG ' ' A' ' 154' ' ' PHE . 75.8 mt -55.81 121.09 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 96.7 mt -96.0 102.56 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.1 t -95.39 123.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -134.93 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 49.3 tp -94.85 162.65 13.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.457 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 76.8 mt-30 -109.46 142.45 25.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.715 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 11.9 m -127.97 39.68 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.29 -57.51 7.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -135.15 145.87 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.4 tt -79.23 114.8 18.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.7 mp -41.93 128.95 3.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 t -137.89 111.92 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.3 t -75.13 -59.63 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 73.66 82.39 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 171.82 13.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.9 t -122.13 44.34 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.0 t -151.92 122.18 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -98.82 117.19 32.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -50.36 -54.41 21.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.08 -105.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -155.33 132.74 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.8 p -106.2 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.14 146.04 12.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.408 HG21 ' CG1' ' A' ' 146' ' ' ILE . 28.4 pt -146.11 152.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.6 mt -104.61 125.47 50.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.442 HG12 ' CG ' ' A' ' 102' ' ' LEU . 15.6 t -103.4 86.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -94.8 163.97 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.448 ' HB2' ' CD1' ' A' ' 160' ' ' ILE . 13.9 t-20 74.32 37.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.442 ' CG ' HG12 ' A' ' 99' ' ' VAL . 59.9 mt -81.61 149.42 64.37 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -95.24 -16.32 22.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.19 31.45 6.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -73.89 152.57 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.83 162.33 32.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.09 -40.85 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -51.26 -34.13 31.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.45 -53.3 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.31 -54.49 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -39.66 -52.45 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -57.48 -47.17 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 149' ' ' PHE . 26.6 tp -52.55 -45.77 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.84 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -2.31 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.67 -28.88 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -104.98 154.27 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.04 128.03 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.18 117.51 34.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -91.08 -45.0 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -151.44 135.27 16.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.42 124.87 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.22 105.99 9.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.64 132.26 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -118.64 93.29 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -27.64 69.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -56.94 -51.49 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -107.12 5.36 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 54.58 49.65 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 92.6 m -137.83 124.41 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.429 ' N ' HD11 ' A' ' 102' ' ' LEU . . . -115.8 130.61 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -98.69 112.54 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.46 115.04 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 87.9 m -96.02 115.82 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.28 -179.17 5.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.14 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -105.61 161.28 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.96 -37.58 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -58.47 -40.56 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -66.62 -53.45 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 142' ' ' ALA . 34.3 mm-40 -37.03 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' ALA . 42.1 m-80 -97.48 -50.5 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.56 -22.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 150' ' ' HIS . 65.7 mt -80.7 -72.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -51.97 -28.66 17.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 23.6 mmm -68.72 -42.92 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 114' ' ' LEU . 53.7 m-85 -114.29 26.43 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 146' ' ' ILE . 10.0 t60 -79.76 118.98 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 64.96 45.41 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 153' ' ' SER . 17.9 t80 -84.13 153.23 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.423 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 40.9 t -78.78 112.85 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -132.76 105.5 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 52.57 33.04 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 93.87 -22.89 33.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 159' ' ' LEU . 22.8 m-20 -87.69 75.75 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' ASP . 90.6 mt -35.32 120.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 101' ' ' ASN . 3.8 mp -98.98 100.4 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.94 126.63 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -137.37 -179.2 5.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.37 164.38 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -85.77 155.76 58.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.698 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 95.03 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.1 m -136.14 126.49 26.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.78 -56.36 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . 48.31 47.0 20.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.74 129.76 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 25.2 mt -84.38 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 172' ' ' SER . 30.8 p -89.5 106.41 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' CYS . 6.7 t -36.25 -50.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 154.0 178.65 28.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.39 64.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 30.4 t -41.52 -50.49 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.6 m -89.33 169.65 11.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.7 m -96.31 117.67 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.2 t -63.22 127.79 32.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.1 64.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.7 p -93.48 89.39 6.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 p -92.85 131.91 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.84 121.38 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.1 pt -123.61 158.7 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.6 mt -109.78 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.434 HG12 ' CG ' ' A' ' 102' ' ' LEU . 22.4 t -104.96 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -103.71 159.93 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.2 t30 73.09 46.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' CG ' HG12 ' A' ' 99' ' ' VAL . 52.8 mt -89.48 156.23 48.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.96 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -88.78 -9.83 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 30.34 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -68.55 142.98 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -157.69 163.61 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.8 m -56.92 -60.51 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 108' ' ' CYS . 62.4 tt0 -34.41 -43.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.63 -47.04 80.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 108' ' ' CYS . 80.5 t -72.05 -57.94 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 3.1 t-160 -36.15 -63.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.42 -48.35 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 tp -50.83 -43.61 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.59 ' CD2' ' CE2' ' A' ' 149' ' ' PHE . 38.5 mt -95.17 41.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -65.4 -32.94 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 13.4 m-85 -90.99 163.61 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.73 131.32 36.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 120' ' ' LEU . 7.3 mp -102.51 128.05 49.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 1.3 mptp? -97.16 -34.21 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -159.51 138.17 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.3 t -131.46 110.05 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -117.99 113.07 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.64 129.61 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.57 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -59.92 -30.11 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.88 -33.49 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 130' ' ' ARG . 24.0 mttm -119.54 14.65 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 129' ' ' LYS . 33.6 mmt180 37.51 51.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.1 m -143.77 140.71 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.19 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -96.95 122.72 40.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.72 124.24 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.7 m -101.33 99.84 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.93 177.89 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.28 -64.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -117.32 170.58 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.33 -50.49 9.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.24 -47.75 84.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -62.62 -49.93 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 142' ' ' ALA . 32.4 mm-40 -37.12 -43.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -89.07 -51.28 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -47.07 -20.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.47 -57.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.0 mmt -75.31 -56.57 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.59 ' CE2' ' CD2' ' A' ' 115' ' ' LEU . 3.1 m-85 -66.74 -50.11 63.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 149' ' ' PHE . 13.8 t60 -34.1 131.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.415 ' HG2' ' CG ' ' A' ' 150' ' ' HIS . 8.6 mm100 69.44 37.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.4 t80 -94.0 144.8 25.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 24.6 t -76.58 106.45 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -134.28 104.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 57.58 27.37 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.1 -19.23 43.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -91.12 136.48 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -87.42 89.93 8.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 90.2 mt -47.39 133.03 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 55.7 mt -106.04 103.97 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.77 124.11 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.54 158.78 43.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.8 tp -84.28 138.16 33.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.31 155.17 0.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.0 m -164.83 108.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -61.38 119.3 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -124.45 78.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -171.19 143.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 170' ' ' LEU . 4.1 mm? -74.3 147.77 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 39.4 t -72.06 -45.68 59.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 5.5 m -120.71 100.67 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -167.11 -93.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.41 50.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.6 m -132.1 -59.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 81.0 p 43.05 42.33 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 p -73.93 -54.68 7.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 t -53.85 122.76 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.8 125.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 m -86.77 85.59 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 99.5 p -89.57 122.25 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.2 148.68 4.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -143.0 157.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.87 125.69 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 102' ' ' LEU . 18.1 t -97.19 97.45 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -104.9 159.17 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.8 t30 74.82 46.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 99' ' ' VAL . 48.7 mt -86.39 156.28 56.73 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -89.85 -30.1 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.06 36.57 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -69.51 149.73 47.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -155.4 169.5 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 52.7 t -73.64 -61.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 26.9 mt-30 -34.43 -47.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.02 -50.15 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' CYS . 88.2 t -61.62 -44.68 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -42.63 -62.52 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.63 -45.97 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.18 -45.38 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 149' ' ' PHE . 22.9 mt -95.37 36.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.2 ptpp? -59.24 -44.51 92.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 6.2 m-20 -47.66 -45.17 27.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 145' ' ' ALA . 6.4 m-85 -93.27 144.91 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.08 123.63 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.67 135.07 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -107.95 -39.65 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -151.64 130.23 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.41 129.04 44.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -129.47 113.76 15.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.41 126.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.56 90.9 3.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.44 -29.86 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -56.9 -44.3 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -112.19 14.27 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 42.21 53.45 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.7 m -140.49 141.25 35.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.12 120.09 30.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.35 115.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.07 128.47 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.5 m -105.97 102.07 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.13 175.08 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -114.75 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.87 -52.34 20.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -39.84 -43.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -56.72 -43.64 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -67.53 -51.52 49.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 53.9 mm-40 -34.99 -36.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.5 m-80 -90.63 -60.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.52 -35.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 57.5 mt -50.31 -67.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -68.1 -46.55 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.4 mmm -44.37 -41.29 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 115' ' ' LEU . 3.3 m-85 -92.84 -35.67 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.483 ' CE1' HE21 ' A' ' 151' ' ' GLN . 29.5 t60 -38.6 125.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.483 HE21 ' CE1' ' A' ' 150' ' ' HIS . 29.0 mm-40 68.15 42.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 153' ' ' SER . 47.8 t80 -87.88 164.28 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 40.8 t -91.19 109.16 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -153.11 105.89 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 64.02 36.53 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 60.78 23.93 61.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -116.28 169.49 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -110.03 73.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.06 119.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 72.7 mt -100.25 104.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.1 t -95.88 129.38 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -131.94 167.61 19.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 5.9 tp -99.78 147.27 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 17.0 mt-30 -65.02 154.1 87.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.25 37.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 169' ' ' LEU . 45.5 m -76.07 92.39 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.78 -50.46 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -122.43 124.59 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.42 ' HB2' ' CG2' ' A' ' 166' ' ' THR . 17.9 tp -150.37 139.77 21.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 43.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.9 t -71.58 -58.08 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 33.1 p -125.53 155.95 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 139.71 -163.39 26.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -9.54 26.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.7 p -82.93 113.93 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 65.7 m -95.67 120.27 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -51.97 131.96 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -153.95 107.23 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.16 151.27 41.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 m -153.98 119.89 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.6 p -85.1 146.8 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.94 142.83 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 pt -138.34 161.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.77 130.99 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' HD23 ' A' ' 102' ' ' LEU . 19.1 t -104.57 91.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.28 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 t30 71.11 48.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 99' ' ' VAL . 80.9 mt -82.53 155.36 68.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.8 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.518 ' H ' ' NE2' ' A' ' 104' ' ' GLN . 1.4 pm0 -87.96 -26.05 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.9 p-10 -117.11 39.0 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 t -65.0 143.7 57.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 6.3 m-80 -153.0 156.78 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' VAL . 48.5 t -59.0 -62.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' CYS . 28.1 mm-40 -34.99 -42.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.77 -48.17 81.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' CYS . 82.2 t -71.34 -53.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.75 -56.99 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -61.97 -46.34 89.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.99 -39.93 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 149' ' ' PHE . 22.4 mt -98.66 46.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.13 71.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -58.64 -42.52 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.34 149.04 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.53 121.26 25.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -94.91 163.48 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -133.52 -44.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.15 130.21 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -129.81 102.73 6.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.79 125.44 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.9 t70 -119.23 90.55 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -59.44 -43.01 93.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.17 -43.57 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -109.52 2.22 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 126' ' ' ASP . 50.7 mtm-85 50.99 51.76 16.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 93.5 m -142.17 126.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.0 119.52 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -88.34 117.11 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.1 t -111.04 137.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 m -113.58 102.34 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.02 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -72.07 -50.1 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -136.15 168.15 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -70.58 -53.67 12.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -38.05 -45.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.324 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.79 -43.73 90.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.68 -50.6 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 33.5 mm-40 -35.19 -40.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -86.31 -58.42 2.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.98 -36.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 163' ' ' LEU . 36.7 mt -48.03 -64.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -71.0 -48.67 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 2.8 mtt -47.66 -31.13 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 115' ' ' LEU . 3.1 m-85 -105.28 -26.01 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 16.7 t60 -42.01 135.43 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.1 pt20 48.37 35.94 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.9 t80 -69.49 156.34 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.46 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 1.7 t -76.91 105.86 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 159' ' ' LEU . 22.2 t80 -144.78 105.66 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.423 ' NH2' ' OD2' ' A' ' 105' ' ' ASP . 31.0 mtt-85 56.2 35.78 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.83 70.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -114.45 144.66 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.312 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -91.65 64.9 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 154' ' ' PHE . 79.1 mt -38.93 122.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 78.4 mt -93.14 101.76 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.9 t -96.95 130.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -138.66 174.81 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 146' ' ' ILE . 6.1 tp -102.73 147.34 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -60.45 143.9 89.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.96 32.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 20.5 m -152.85 122.92 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -103.92 -44.14 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -173.67 175.23 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 15.3 tp -40.28 147.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 17.3 tp -107.07 95.17 5.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 31.3 p -107.77 167.77 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.1 t -83.62 169.6 15.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 83.28 79.67 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 2.04 3.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 7.8 t 71.18 42.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.1 t -52.49 -50.18 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.0 p -107.41 103.41 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -99.7 170.82 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.39 -121.28 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 p -116.81 131.16 57.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.8 p -173.94 171.48 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.58 160.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.1 pt -142.09 158.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.7 mt -106.69 125.31 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 102' ' ' LEU . 34.5 t -97.4 87.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -96.19 163.25 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 72.59 42.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' CD1' HG11 ' A' ' 99' ' ' VAL . 40.9 mt -87.78 157.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -81.65 -35.8 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.489 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 14.6 t70 -104.16 32.92 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -66.24 152.1 45.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 4.3 m-80 -158.22 166.33 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 111' ' ' VAL . 10.4 t -62.82 -60.12 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 39.6 tp60 -34.78 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.63 -48.65 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' CYS . 98.6 t -68.11 -53.47 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.2 t-160 -39.43 -61.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.5 -39.96 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.64 -45.15 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.4 mt -101.87 39.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -62.34 -48.14 81.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -39.39 -47.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.82 154.54 20.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.64 129.48 34.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 120' ' ' LEU . 8.3 mp -107.0 117.69 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -89.72 -48.17 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -147.29 146.93 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.75 129.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -124.07 102.68 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 108' ' ' CYS . 91.9 t -88.6 125.63 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -119.41 90.01 3.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -51.44 -46.7 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.7 -45.28 28.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 130' ' ' ARG . 21.3 mmtp -103.98 15.06 29.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER 33.62 54.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.9 m -146.44 141.74 27.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.02 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.67 113.89 26.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.4 t -106.58 134.1 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.3 m -109.25 104.78 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.3 mt -82.01 177.85 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.47 -51.44 43.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -140.03 178.57 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.01 -53.63 5.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' GLY . 18.3 mt-10 -36.13 -38.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -68.68 -46.14 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -67.36 -52.48 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 20.4 mm-40 -34.98 -32.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.8 m-80 -92.4 -62.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 144' ' ' ASN . . . -37.01 -38.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.458 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 47.5 mt -50.36 -65.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.24 -54.0 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 14.5 mtt -42.66 -38.8 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.86 -26.99 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 151' ' ' GLN . 15.5 t60 -45.16 126.85 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.542 ' HG2' ' CE1' ' A' ' 150' ' ' HIS . 6.9 mm100 66.93 43.05 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.487 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.9 t80 -86.72 160.54 18.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.487 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.7 t -86.95 109.94 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -151.93 112.31 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 54.8 42.7 30.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.03 55.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -122.89 157.32 32.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -104.71 79.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 92.1 mt -46.32 125.41 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 88.4 mt -103.33 111.01 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 10.4 t -99.32 129.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -135.03 176.66 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.8 mt -81.36 164.42 22.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.43 148.12 73.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 166' ' ' THR . 54.0 Cg_endo -69.72 2.12 3.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 165' ' ' PRO . 34.9 m -34.09 -53.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.0 133.37 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -115.34 108.17 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.46 171.7 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.5 mt -101.87 116.73 33.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.32 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 72.1 m -57.3 -58.93 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.57 4.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.2 22.99 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 19.3 m -44.75 158.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 13.6 t -162.92 156.77 20.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 t -123.0 114.16 20.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -92.52 154.38 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.38 83.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 95' ' ' SER . 21.7 m -129.29 82.05 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' SER . 74.2 p 35.56 44.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . -161.87 140.12 6.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 142' ' ' ALA . 32.0 pt -125.87 160.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.178 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.467 HD21 ' NE2' ' A' ' 164' ' ' GLN . 95.2 mt -106.06 134.5 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 102' ' ' LEU . 15.6 t -101.64 93.84 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -107.72 161.3 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.0 t30 71.8 43.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 99' ' ' VAL . 51.0 mt -84.0 156.36 63.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.9 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.361 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.1 pm0 -87.56 -29.87 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.9 m-20 -108.81 32.47 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 107' ' ' ASN . 8.3 t -63.7 147.18 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 37.2 m-80 -160.54 162.73 33.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 47.9 t -60.93 -56.77 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -38.4 -39.18 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.15 -48.08 66.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -66.27 -54.25 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -39.52 -60.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -56.41 -38.83 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.54 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.558 HD21 ' CE2' ' A' ' 149' ' ' PHE . 78.1 mt -91.27 45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -66.29 -36.55 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' A' ' 116' ' ' LYS . 22.7 m-20 -52.81 -44.98 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.544 ' CZ ' ' CB ' ' A' ' 145' ' ' ALA . 4.9 m-85 -94.98 160.15 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.22 108.11 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.94 122.31 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -89.46 -34.85 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -160.92 139.7 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.77 129.51 38.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -133.52 103.2 5.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.38 130.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -114.76 114.81 26.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER -83.96 23.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.415 ' HA ' ' NH2' ' A' ' 127' ' ' ARG . 31.4 t30 -98.69 -54.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -117.02 10.63 14.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 62.6 43.04 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.9 m -123.32 133.83 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -124.05 125.4 44.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.32 117.35 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.21 129.88 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 90.6 m -108.68 116.36 31.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 142' ' ' ALA . 87.8 mt -85.96 177.62 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.9 -58.15 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.55 152.25 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.87 54.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -45.23 -44.79 11.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.356 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -53.7 -40.78 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.441 ' HB2' ' CG2' ' A' ' 97' ' ' ILE . . . -67.19 -54.08 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 142' ' ' ALA . 79.5 mm-40 -35.46 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -85.44 -60.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.544 ' CB ' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.36 -45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 150' ' ' HIS . 47.0 mt -42.77 -63.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -68.93 -57.36 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.7 mmt -41.24 -33.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.558 ' CE2' HD21 ' A' ' 115' ' ' LEU . 11.7 m-85 -104.28 -22.43 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 146' ' ' ILE . 13.4 t60 -42.99 148.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 151' ' ' GLN . 0.0 OUTLIER 32.74 42.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.557 ' CE2' ' O ' ' A' ' 153' ' ' SER . 10.5 t80 -76.59 161.51 28.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.557 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 9.3 t -77.32 106.04 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -148.97 122.67 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 46.82 45.73 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 54.41 27.22 40.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -126.88 173.35 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 77.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.2 mt -44.19 129.62 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 83.6 mt -101.0 113.56 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.3 t -102.26 130.03 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -134.38 179.0 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 163' ' ' LEU . 3.8 mm? -81.06 166.8 20.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.467 ' NE2' HD21 ' A' ' 98' ' ' LEU . 15.8 mm-40 -101.05 138.25 19.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.19 63.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.5 m -73.53 136.13 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.7 161.12 24.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -135.19 146.64 48.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 3.8 tt -109.08 79.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.26 109.31 20.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 82.6 m -122.97 142.68 50.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 76.6 p -87.79 -52.59 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -101.79 146.16 17.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 108.52 2.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.0 m -83.25 108.32 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 80.0 p -136.3 124.96 23.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.1 t -162.37 168.99 21.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -96.81 106.59 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.85 -162.63 19.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 p -101.81 77.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -105.32 170.03 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.47 136.74 8.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 pt -135.16 154.82 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.428 HD21 ' CD ' ' A' ' 164' ' ' GLN . 71.9 mt -107.54 128.79 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' HD23 ' A' ' 102' ' ' LEU . 18.1 t -99.81 96.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -105.06 160.67 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.9 t30 72.34 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.465 HD23 ' CG1' ' A' ' 99' ' ' VAL . 58.0 mt -90.33 155.84 46.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -163.32 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -86.41 -35.44 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.0 m-20 -107.29 36.05 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -68.74 138.95 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 5.7 m-80 -154.63 168.46 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -66.94 -55.3 15.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.2 mm-40 -34.23 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' CYS . 5.8 tp10 -81.44 -57.19 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.5 t -47.9 -48.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.537 ' CD2' HD21 ' A' ' 120' ' ' LEU . 11.4 t-80 -44.13 -63.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -50.07 -44.12 51.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 152' ' ' TYR . 63.2 tp -57.49 -47.36 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 149' ' ' PHE . 29.4 mt -98.52 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 17.8 ptmt -66.48 -46.41 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 9.4 m-20 -44.58 -46.0 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CZ ' ' HB1' ' A' ' 145' ' ' ALA . 20.3 m-85 -86.71 163.61 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -89.74 126.43 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 112' ' ' HIS . 6.9 mp -100.13 127.83 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -102.14 -47.86 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -148.28 140.16 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.11 128.42 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -130.61 105.46 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.9 t -83.75 128.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.15 97.2 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 9.1 mmp_? -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -45.69 -43.64 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -112.61 14.1 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 39.57 54.79 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.9 m -144.88 140.0 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.91 123.28 40.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.67 118.1 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.55 127.97 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.9 m -104.09 117.58 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 98.2 mt -88.72 173.63 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.445 ' HB3' ' NE2' ' A' ' 141' ' ' GLN . 45.0 tp -69.45 -68.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -115.31 164.38 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -64.6 -56.81 14.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 139' ' ' GLY . 15.9 tt0 -34.87 -49.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.445 ' NE2' ' HB3' ' A' ' 137' ' ' LEU . 9.8 mt-30 -51.61 -47.16 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -67.69 -52.12 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 142' ' ' ALA . 1.8 mp0 -34.79 -40.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 146' ' ' ILE . 13.8 m-80 -89.41 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.509 ' HB1' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.24 -26.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 144' ' ' ASN . 56.9 mt -61.81 -72.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.31 -41.5 89.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 148' ' ' MET . 0.9 OUTLIER -48.49 -41.93 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.453 ' CE2' HD23 ' A' ' 115' ' ' LEU . 3.2 m-85 -97.11 -25.94 15.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -41.27 128.38 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 62.63 47.33 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 153' ' ' SER . 49.9 t80 -93.04 154.83 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.556 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.1 t -73.15 117.56 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -151.98 107.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 51.89 35.04 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.86 -14.42 31.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -94.23 157.14 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.16 90.53 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.97 124.19 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.8 mm -99.69 107.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.23 129.0 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -129.45 164.05 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 18.9 tp -87.66 156.31 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.47 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 15.2 mm-40 -88.95 141.16 29.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.615 2.21 . . . . 0.0 112.362 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.6 m -55.96 123.17 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -114.52 -52.06 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -146.34 136.65 23.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.28 -23.52 65.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.8 114.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.6 m -111.93 79.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 45.9 m -142.97 132.26 23.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 126.91 -158.49 20.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 105.4 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 39.8 t -41.07 -62.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 8.6 t -61.43 110.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m 62.31 40.26 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.813 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 m -108.83 124.35 50.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.436 ' HA3' ' NE2' ' A' ' 143' ' ' GLN . . . 68.04 95.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' SER . 13.3 m -54.82 118.59 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.804 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' SER . 90.4 p -38.07 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.36 154.91 29.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 161' ' ' VAL . 30.8 pt -151.26 156.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.41 ' CD1' ' HD3' ' A' ' 165' ' ' PRO . 59.1 mt -103.86 126.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.453 ' CG1' HD23 ' A' ' 102' ' ' LEU . 12.2 t -102.27 90.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.6 t30 72.52 51.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.453 HD23 ' CG1' ' A' ' 99' ' ' VAL . 33.5 mt -90.06 157.69 45.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -90.78 -32.24 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -106.23 33.38 3.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 33.4 t -62.89 148.61 46.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 39.5 m-80 -160.73 162.42 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.22 -55.44 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -40.73 -41.05 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.4 -47.86 77.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.12 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -40.63 -67.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.5 -46.24 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' CD1' ' CE2' ' A' ' 152' ' ' TYR . 51.4 tp -51.72 -48.76 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 149' ' ' PHE . 40.0 mt -99.42 28.65 4.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -51.23 -45.39 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -44.73 -44.37 9.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.472 ' CE1' ' HB1' ' A' ' 145' ' ' ALA . 12.6 m-85 -94.52 165.08 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.64 128.51 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 120' ' ' LEU . 6.7 mp -101.45 122.68 44.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -94.86 -40.61 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -148.31 138.33 22.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 8.0 p -137.52 125.8 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -127.85 98.94 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.97 128.33 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.95 110.86 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -73.69 -44.34 56.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -49.42 -41.61 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -113.45 14.72 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' LYS . 61.5 mtm-85 35.9 54.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.1 m -137.92 137.17 37.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.3 118.74 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.69 115.79 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.87 137.4 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.7 m -112.98 101.7 9.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 142' ' ' ALA . 88.1 mt -72.62 -179.22 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 24.0 tp -80.46 -59.48 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -117.57 152.12 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.14 -51.62 55.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 36.4 tt0 -42.35 -43.06 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -58.63 -42.15 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.46 ' CB ' HD11 ' A' ' 136' ' ' LEU . . . -63.93 -56.43 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.436 ' NE2' ' HA3' ' A' ' 93' ' ' GLY . 2.0 mp0 -35.74 -38.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 32.3 m-80 -87.23 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 118' ' ' TYR . . . -36.57 -44.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.4 mt -47.27 -54.89 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 148' ' ' MET . 4.1 tt0 -71.37 -62.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 147' ' ' GLN . 6.9 mmm -38.2 -35.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 115' ' ' LEU . 3.1 m-85 -92.66 -39.47 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.3 t60 -38.43 131.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 32.5 mt-30 63.63 42.97 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 153' ' ' SER . 19.5 t80 -89.73 155.42 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 15.3 t -84.82 110.4 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -149.67 108.12 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 63.98 36.49 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 64.32 18.56 63.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -115.77 173.15 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.47 84.07 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.1 mt -48.4 131.86 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 81.8 mt -107.2 101.23 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 97' ' ' ILE . 4.5 t -96.35 124.02 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.93 171.62 14.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.9 mt -75.01 166.67 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -83.14 144.42 47.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.41 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.73 -3.33 11.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.345 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -46.53 -50.93 16.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -127.75 124.6 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -96.46 91.07 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 28.0 tp -42.22 142.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 12.6 tp -105.97 135.19 47.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.94 115.66 19.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 40.0 t -133.49 83.73 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 64.41 86.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.34 69.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.8 m -130.88 117.78 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 6.6 t -129.13 150.37 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.6 t -71.63 128.54 36.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.2 m -57.14 92.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.36 143.51 4.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 m -134.78 115.4 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.4 p -54.68 167.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.61 130.47 6.97 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.451 HD13 ' CG1' ' A' ' 161' ' ' VAL . 39.4 pt -139.26 152.93 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.85 133.49 52.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.416 HG11 ' CG ' ' A' ' 102' ' ' LEU . 20.7 t -105.77 88.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -89.74 162.61 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.0 t30 72.97 49.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' CG ' HG11 ' A' ' 99' ' ' VAL . 38.6 mt -97.43 157.34 34.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.18 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -94.76 -22.47 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.3 34.72 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -66.85 150.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -156.99 161.68 39.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.21 -50.26 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -38.45 -32.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.55 -51.71 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' HIS . 95.3 t -60.84 -55.04 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' VAL . 15.5 t-80 -34.61 -49.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.22 -48.39 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 111' ' ' VAL . 21.5 tp -50.34 -53.15 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -93.73 30.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -52.98 -44.95 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -51.52 -48.52 62.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -84.55 148.83 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -76.54 142.12 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 120' ' ' LEU . 6.9 mp -113.77 116.83 30.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -89.65 -35.3 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -158.11 137.41 11.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.9 p -139.87 128.97 23.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.99 111.75 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.2 t -98.39 127.96 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.84 89.1 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.28 -24.61 29.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' ARG . 51.1 mttt -117.07 17.51 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' LYS . 3.4 mpt_? 33.43 54.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.4 ' CA ' HD11 ' A' ' 102' ' ' LEU . 87.5 m -149.69 128.13 12.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.8 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.78 117.37 30.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.92 137.88 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.3 m -116.94 101.58 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.1 -179.35 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.55 -67.54 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -124.25 179.54 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.66 -52.28 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -39.33 -39.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.39 -45.28 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.25 -50.13 64.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 17.6 mm-40 -37.22 -33.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 142' ' ' ALA . 47.9 m-80 -92.77 -59.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -40.41 -42.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 19.3 mt -44.74 -61.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.483 ' OE1' ' CG2' ' A' ' 146' ' ' ILE . 3.1 mp0 -71.26 -49.29 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.8 mmt -50.09 -20.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -122.38 -10.98 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 5.6 t60 -51.08 139.05 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 9.3 pt20 43.96 51.95 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 153' ' ' SER . 11.0 t80 -86.05 159.04 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.574 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 10.5 t -74.44 107.62 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.46 ' CD1' HD11 ' A' ' 159' ' ' LEU . 22.3 t80 -133.53 102.85 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 47.62 35.14 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.82 -26.23 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -86.18 146.54 26.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -97.92 102.11 13.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 154' ' ' PHE . 23.5 mt -58.25 129.25 41.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.02 104.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 97' ' ' ILE . 2.7 t -94.29 126.42 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.94 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.32 156.83 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.25 155.34 78.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 109.93 2.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 167' ' ' ASP . 6.5 t -84.47 -45.7 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.47 ' N ' ' CG2' ' A' ' 166' ' ' THR . 1.5 p30 -63.43 144.17 57.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.93 83.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 19.6 tp -134.36 117.49 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.95 -55.61 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 172' ' ' SER . 93.8 m -125.44 118.92 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 171' ' ' CYS . 47.9 t -35.32 126.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -167.32 171.5 42.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 175' ' ' SER . 53.6 Cg_endo -69.8 -29.5 23.56 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 174' ' ' PRO . 80.0 p -35.1 -36.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 174' ' ' PRO . 20.7 t -132.03 99.75 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m -68.71 -54.76 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.8 p -152.47 120.15 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.59 96.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.6 p -88.34 38.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.5 p -65.84 -45.34 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.72 139.58 48.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -138.01 157.14 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.37 132.93 50.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 102' ' ' LEU . 19.1 t -109.49 88.02 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -94.12 165.49 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 68.84 52.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' CD1' HG12 ' A' ' 99' ' ' VAL . 45.1 mt -97.03 156.37 36.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -174.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.25 -31.77 33.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 5.1 t0 -103.57 26.06 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -59.29 141.33 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 20.2 m-80 -152.3 165.53 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 12.9 t -63.79 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 10.6 tt0 -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.62 -53.89 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.4 -49.21 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.32 -59.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.39 -41.85 85.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.44 -39.96 77.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.82 40.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 11.6 ptpt -62.39 -48.34 80.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 5.1 m-20 -41.87 -46.64 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 145' ' ' ALA . 19.3 m-85 -88.3 162.03 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.81 125.8 36.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.22 131.97 44.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 137' ' ' LEU . 1.3 mptp? -103.13 -49.4 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -143.91 136.34 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -132.13 129.14 39.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -132.16 98.02 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.67 126.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.7 m-20 -119.04 92.32 3.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -60.05 -43.49 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -46.76 -34.32 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -123.1 14.27 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 126' ' ' ASP . 61.1 mtm180 38.59 54.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.6 m -142.68 117.73 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.5 125.04 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -92.37 119.64 32.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.45 132.84 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.7 m -110.3 106.79 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 53.0 mt -79.25 176.96 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.455 ' HA ' ' CE ' ' A' ' 121' ' ' LYS . 20.6 tp -67.31 -62.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' CB ' ' OE2' ' A' ' 140' ' ' GLU . 86.0 m-20 -121.24 171.44 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.42 -47.05 11.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 141' ' ' GLN . 24.4 pm0 -47.19 -33.86 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.466 ' N ' ' HG2' ' A' ' 140' ' ' GLU . 5.6 mt-30 -69.9 -41.06 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 144' ' ' ASN . . . -71.21 -49.39 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' ALA . 42.0 mm-40 -35.43 -33.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 142' ' ' ALA . 56.7 m-80 -95.74 -57.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.409 ' HB3' ' CE1' ' A' ' 118' ' ' TYR . . . -44.18 -22.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 150' ' ' HIS . 38.8 mt -71.21 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -60.16 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 68.5 mmm -56.14 -51.89 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -87.52 -17.19 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.9 t60 -49.25 127.55 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.507 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 69.8 mt-30 66.0 45.27 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -97.32 149.57 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 25.4 t -74.05 120.85 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -153.75 106.96 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 64.05 27.2 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.4 -29.39 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -87.11 163.86 16.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -107.64 102.72 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.9 mt -56.07 128.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 28.0 mm -105.94 104.0 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.21 127.62 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -142.04 172.95 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.452 HD21 ' N ' ' A' ' 163' ' ' LEU . 4.3 mm? -75.42 164.67 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.69 143.16 29.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 176.86 6.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 34.8 m -159.25 138.41 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.01 46.14 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -115.6 84.97 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -26.38 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -90.81 25.76 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 170' ' ' LEU . 1.9 m -36.61 124.32 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.8 m -93.0 -42.89 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 106.96 -103.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.25 4.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.2 m 61.6 43.24 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 42.1 t -146.82 132.89 19.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 t -90.35 135.97 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.0 p -112.95 -46.72 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.58 179.74 41.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.0 p -115.24 101.84 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.0 p -84.73 132.69 34.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.18 143.81 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.3 pt -144.21 159.89 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.096 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.68 141.9 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 102' ' ' LEU . 24.9 t -112.4 87.32 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -93.9 162.55 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.7 t30 72.53 43.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 159' ' ' LEU . 49.1 mt -84.84 156.65 61.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.81 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -89.71 -31.81 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.7 p-10 -108.26 35.33 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 28.5 t -63.51 156.29 26.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 48.6 m-80 -161.64 162.37 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 109' ' ' GLN . 44.0 t -70.97 -61.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.5 tp60 -34.32 -40.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.77 -52.62 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 108' ' ' CYS . 86.7 t -61.17 -53.34 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -37.77 -54.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.05 -43.79 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.5 ' CD2' ' CE2' ' A' ' 149' ' ' PHE . 29.4 mt -95.89 29.45 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -41.53 40.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -45.55 -51.13 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -94.61 157.3 16.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.09 135.68 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 120' ' ' LEU . 6.4 mp -108.9 120.52 42.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -88.29 -56.08 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -137.12 139.68 41.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.07 126.78 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -124.25 101.47 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.26 127.06 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' ARG . 9.5 m-20 -120.03 95.85 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -58.59 -42.74 88.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -50.85 -39.66 54.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 130' ' ' ARG . 19.7 mttm -113.59 15.89 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 129' ' ' LYS . 1.6 mpp_? 33.72 55.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 74.0 m -142.28 133.1 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 102' ' ' LEU . . . -119.85 126.42 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -93.52 113.3 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.24 123.6 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.4 m -101.12 103.02 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 78.1 mt -76.25 172.74 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.7 -59.04 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -117.56 157.92 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.22 65.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -43.24 -46.59 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.16 -47.03 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.05 -49.43 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 63.1 mm-40 -34.89 -40.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -60.98 -67.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.54 -44.32 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 18.9 mtp -45.62 -42.68 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.5 ' CE2' ' CD2' ' A' ' 115' ' ' LEU . 3.1 m-85 -93.48 -33.62 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' PHE . 68.5 t60 -36.97 125.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 66.94 40.8 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 153' ' ' SER . 40.7 t80 -84.71 161.95 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 1.7 t -86.38 110.38 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -152.6 114.66 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 52.52 40.52 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.54 24.99 57.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -119.49 166.32 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.28 69.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 102' ' ' LEU . 84.5 mt -38.04 125.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.38 106.53 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 3.8 t -95.92 134.16 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.87 172.07 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.5 tp -95.67 127.8 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.77 140.16 89.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.76 23.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 30.8 m -138.25 131.49 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.13 -55.36 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.81 113.09 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.24 105.2 14.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -165.33 143.07 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 99.1 m -76.34 155.0 34.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 33.5 m -121.08 -42.96 2.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 140.73 -158.09 26.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -5.29 15.87 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.5 m -63.56 -61.45 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 54.5 p -56.89 115.4 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -90.5 154.64 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 p -122.92 -23.69 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.33 -75.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.0 t 48.42 38.08 10.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -91.38 134.54 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.17 149.63 6.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.401 HG23 ' CG1' ' A' ' 146' ' ' ILE . 23.7 pt -143.73 151.94 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.4 mt -105.95 127.14 52.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.536 ' CG1' ' CD2' ' A' ' 102' ' ' LEU . 20.6 t -96.63 94.94 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -101.12 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 37.5 t30 69.24 53.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.536 ' CD2' ' CG1' ' A' ' 99' ' ' VAL . 85.4 mt -91.59 153.69 44.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -164.78 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -87.97 -26.49 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -111.99 33.31 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 t -70.07 145.33 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -160.08 169.08 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -59.44 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 92.4 mm-40 -34.99 -40.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.95 -53.69 50.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -46.36 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -40.48 -63.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.37 -46.08 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.05 -45.27 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.45 41.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.5 ptmm? -64.13 -43.82 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 25.8 t0 -48.08 -45.62 32.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CE2' ' HB1' ' A' ' 145' ' ' ALA . 7.1 m-85 -90.23 148.31 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.6 127.53 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.03 125.03 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -88.56 -40.8 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.75 134.69 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.5 t -130.29 118.74 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.62 118.69 23.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.0 t -95.03 132.38 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -118.98 89.81 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -59.04 -41.47 87.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.79 -42.81 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -112.31 13.05 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 41.59 53.95 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.3 m -147.98 132.76 17.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -116.42 128.83 55.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.39 122.38 34.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.58 125.99 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.2 m -105.93 101.84 11.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 91.4 mt -70.74 -179.83 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.45 -61.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -121.69 175.56 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.77 -56.98 3.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -37.68 -37.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -66.41 -46.03 77.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 139' ' ' GLY . . . -71.59 -52.2 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' ALA . 27.8 mm-40 -35.13 -34.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 142' ' ' ALA . 5.4 m-80 -94.55 -54.54 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 118' ' ' TYR . . . -44.73 -30.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 150' ' ' HIS . 32.6 mt -60.09 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -64.83 -44.03 91.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 mtt -49.76 -34.25 18.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -105.86 -18.07 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.515 ' CD2' ' OE1' ' A' ' 151' ' ' GLN . 9.4 t60 -48.49 128.91 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' A' ' 150' ' ' HIS . 25.0 mt-30 65.2 42.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -92.97 150.29 20.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.42 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 23.2 t -76.58 124.72 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.473 ' CG ' HD12 ' A' ' 159' ' ' LEU . 14.2 t80 -156.08 106.41 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 64.85 26.51 12.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.73 -25.05 14.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -88.99 156.64 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.99 95.9 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 154' ' ' PHE . 52.1 mt -54.47 125.31 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 81.9 mt -103.23 106.04 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.68 126.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -131.51 174.63 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 24.3 tp -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.464 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 34.1 mt-30 -84.1 144.11 43.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 166' ' ' THR . 53.6 Cg_endo -69.82 101.47 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 165' ' ' PRO . 0.7 OUTLIER -33.7 117.21 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.92 -58.35 5.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -99.46 147.8 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.27 -23.83 26.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 10.5 mt -149.41 162.85 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 38.7 t -51.85 101.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.5 p -117.52 124.67 49.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 56.61 83.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.78 68.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 9.6 m -82.62 176.88 9.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 45.3 m -143.28 154.77 44.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 m -94.98 82.51 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.5 p -149.68 164.9 33.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.5 175.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -82.31 47.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.7 p -79.42 161.72 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . 106.12 140.36 9.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 142' ' ' ALA . 40.3 pt -140.29 152.17 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' CD1' ' HD3' ' A' ' 165' ' ' PRO . 32.5 mt -103.2 131.68 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 102' ' ' LEU . 20.0 t -102.16 100.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -106.83 156.99 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.0 t30 74.96 47.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 99' ' ' VAL . 37.7 mt -88.66 157.33 49.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.403 ' CB ' ' HD3' ' A' ' 155' ' ' ARG . 53.7 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.94 -37.37 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.4 t70 -100.24 31.7 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 1.0 OUTLIER -68.36 150.96 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 14.0 m-80 -162.64 167.43 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 110' ' ' GLU . 1.7 m -70.81 -58.83 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' CYS . 15.1 mt-30 -33.97 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 108' ' ' CYS . 10.3 tp10 -76.45 -48.77 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 108' ' ' CYS . 97.2 t -63.21 -47.27 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.1 t-160 -38.39 -60.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -57.93 -42.64 85.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.9 -49.37 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 149' ' ' PHE . 31.3 mt -95.3 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 20.9 pttp -68.62 -42.9 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 38.3 m-20 -48.62 -47.94 39.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -89.32 166.62 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.13 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.49 122.19 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -94.06 -43.12 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 124' ' ' TYR . 76.4 t80 -147.51 135.28 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.8 t -132.79 105.7 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 122' ' ' TYR . 79.5 t80 -117.24 112.5 20.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.52 139.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.54 137.36 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -29.12 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.02 -33.27 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -102.66 -5.4 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 43.31 45.86 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 75.9 m -134.62 139.2 45.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.57 118.17 29.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.25 117.99 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.93 118.88 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.6 m -97.89 106.88 19.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.24 174.71 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.42 ' HG ' ' ND2' ' A' ' 138' ' ' ASN . 54.7 tp -72.14 -58.82 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.42 ' ND2' ' HG ' ' A' ' 137' ' ' LEU . 8.5 m-80 -118.75 169.0 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.79 -50.48 7.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -44.86 -34.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -63.11 -44.5 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 97' ' ' ILE . . . -71.24 -49.12 46.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 142' ' ' ALA . 8.3 mm-40 -36.46 -38.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -88.71 -61.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.42 -45.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.459 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 34.3 mt -44.25 -59.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' MET . 5.0 tt0 -69.85 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 147' ' ' GLN . 13.8 mmt -38.03 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.562 ' CE2' HD22 ' A' ' 115' ' ' LEU . 3.1 m-85 -90.88 -40.03 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -37.54 124.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 66.22 41.72 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.505 ' CG ' ' N ' ' A' ' 153' ' ' SER . 38.4 t80 -90.01 162.43 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 6.9 t -82.8 103.36 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.456 ' CG ' HD13 ' A' ' 159' ' ' LEU . 40.4 t80 -142.54 107.79 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 103' ' ' PRO . 23.8 mtp85 55.13 42.75 30.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 55.86 27.29 49.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -118.95 174.93 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -115.67 76.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 154' ' ' PHE . 75.1 mt -46.14 125.14 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 61.7 mt -103.67 105.98 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 14.3 t -97.44 128.86 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.65 175.13 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.48 166.92 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.418 ' HG3' ' C ' ' A' ' 96' ' ' GLY . 22.0 mt-30 -79.0 143.51 61.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.44 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.75 86.58 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 45.3 m -120.92 98.0 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 167' ' ' ASP . 1.0 OUTLIER -74.7 151.19 39.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -167.67 135.94 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.9 -27.02 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 57.5 mt -117.26 131.7 56.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.43 141.24 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.5 p -147.33 162.04 39.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -102.56 172.72 22.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.23 5.56 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.0 m -74.8 131.05 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 55.1 m -154.69 148.24 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.4 p -125.37 120.57 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 m -129.55 174.46 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.41 -121.14 19.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.4 m 45.92 38.02 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -89.73 165.94 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.97 148.67 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.409 HD12 ' CG1' ' A' ' 161' ' ' VAL . 44.0 pt -142.78 161.5 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.1 mt -108.52 132.96 53.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' HD23 ' A' ' 102' ' ' LEU . 19.1 t -99.28 92.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 72.03 48.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.457 HD23 ' CG1' ' A' ' 99' ' ' VAL . 51.0 mt -88.88 156.53 49.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.228 . . . . 0.0 112.36 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -84.93 -28.22 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.1 t70 -114.64 37.97 3.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 2.9 t -69.24 153.92 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 106' ' ' SER . 31.5 m-80 -162.22 168.18 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 20.4 t -63.82 -61.17 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 45.0 mm-40 -34.73 -41.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.75 -51.51 66.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 112' ' ' HIS . 85.2 t -68.41 -55.43 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' VAL . 44.2 t-80 -35.59 -60.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.86 -42.27 79.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.67 -52.01 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 149' ' ' PHE . 27.0 mt -86.49 26.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -49.62 -49.92 45.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -40.94 -47.47 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.416 ' CZ ' ' HB1' ' A' ' 145' ' ' ALA . 2.3 m-85 -91.23 146.76 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.51 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.26 130.2 42.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -100.59 -38.32 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -161.0 136.86 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -131.33 129.0 40.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -127.98 101.48 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 87.3 t -86.73 121.09 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.11 89.13 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -54.51 -42.98 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -43.41 -45.04 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -112.03 14.99 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 41.11 47.37 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.2 m -133.02 136.16 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 99' ' ' VAL . . . -121.58 113.42 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -81.76 106.56 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -106.9 132.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 94.7 m -112.28 103.33 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.4 178.68 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.5 tp -71.61 -58.54 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -127.47 177.21 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -75.81 -54.47 5.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.3 mm-40 -36.97 -44.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.61 -47.99 82.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -66.92 -53.03 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 142' ' ' ALA . 9.9 mm-40 -34.98 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.9 m-80 -95.35 -59.98 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.416 ' HB1' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.89 -31.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.57 -58.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.56 -35.43 80.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.4 mtp -68.42 -54.76 14.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.571 ' CE2' HD22 ' A' ' 115' ' ' LEU . 4.6 m-85 -65.65 -48.08 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.499 ' CE1' HE21 ' A' ' 151' ' ' GLN . 36.0 t60 -31.76 127.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.499 HE21 ' CE1' ' A' ' 150' ' ' HIS . 32.7 mm-40 68.22 40.09 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 153' ' ' SER . 35.2 t80 -87.26 160.12 18.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 10.5 t -91.3 103.66 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.458 ' CB ' HD11 ' A' ' 159' ' ' LEU . 47.1 t80 -145.15 110.74 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 58.34 45.66 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 53.31 28.35 34.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -128.69 155.65 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.52 77.58 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 154' ' ' PHE . 65.4 mt -44.59 126.48 5.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 37.0 mm -99.85 117.29 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.418 HG23 ' CB ' ' A' ' 149' ' ' PHE . 20.5 t -106.85 128.64 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -131.4 172.82 11.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.5 tp -104.73 128.91 52.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.55 140.49 65.96 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 48.2 m -117.68 100.09 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -69.88 -52.52 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -148.18 130.38 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -93.72 28.81 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.49 175.56 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.25 133.03 47.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.4 t -165.8 139.8 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 159.27 145.95 4.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 36.1 p -131.36 138.57 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 33.3 t -117.64 82.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.1 p -71.48 97.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -56.42 159.89 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.93 73.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.4 p -69.78 114.64 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.2 p -91.2 161.63 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.35 148.9 10.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 pt -139.23 154.16 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.35 131.39 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' HD23 ' A' ' 102' ' ' LEU . 17.9 t -99.57 97.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -108.68 156.55 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.0 t30 74.11 48.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD23 ' CG1' ' A' ' 99' ' ' VAL . 46.5 mt -88.51 156.65 50.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -90.05 -31.08 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.3 m-20 -108.9 35.15 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -71.11 151.36 44.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 1.7 m-80 -157.92 156.64 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 111' ' ' VAL . 40.8 t -63.52 -58.94 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' CYS . 66.6 mt-30 -34.91 -36.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' CYS . 6.5 tp10 -72.96 -48.41 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' CYS . 89.8 t -63.0 -40.71 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -47.68 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -52.3 -41.65 63.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.46 -53.76 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 39.9 mt -88.01 39.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 25.3 pttm -61.82 -45.22 94.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 45.9 m-20 -46.23 -46.09 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.59 143.19 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.78 120.96 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.42 128.82 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -96.38 -44.39 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 145.74 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.73 131.28 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -138.5 111.28 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.9 t -91.99 144.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.44 148.79 38.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -103.96 -24.64 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -74.26 -44.61 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' ARG . 42.6 mttt -112.68 14.53 20.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' LYS . 29.7 mmm180 36.2 51.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 m -129.36 142.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.31 127.75 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.03 124.1 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.01 135.17 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 91.5 m -109.12 106.17 15.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.23 179.0 6.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 46.2 tp -82.74 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -111.76 153.38 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.63 -47.36 77.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.81 -34.92 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.92 -44.95 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -65.76 -51.1 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 66.1 mm-40 -35.02 -41.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.97 -56.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.92 -27.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 163' ' ' LEU . 33.1 mt -58.71 -64.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -71.72 -42.63 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 19.5 mmm -47.13 -33.96 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 115' ' ' LEU . 5.7 m-85 -100.85 -41.33 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -34.74 126.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.74 48.96 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . 0.453 ' CG ' ' N ' ' A' ' 153' ' ' SER . 37.7 t80 -91.63 160.66 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 30.8 t -85.52 99.74 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.443 ' CB ' HD13 ' A' ' 159' ' ' LEU . 21.7 t80 -145.85 114.42 6.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 55.77 41.53 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.36 13.13 14.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -108.58 170.67 7.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.78 77.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 154' ' ' PHE . 75.1 mt -44.87 118.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 82.8 mt -94.54 104.16 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 149' ' ' PHE . 20.3 t -97.06 127.46 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -132.55 175.54 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 146' ' ' ILE . 6.0 tp -101.7 135.66 42.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.2 143.84 52.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.98 17.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 24.9 m -137.13 128.97 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -99.91 45.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -107.39 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.5 tp -170.77 153.09 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 pp -97.16 171.54 8.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.5 t -165.47 135.43 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 59.6 p -87.73 -13.21 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 62.88 84.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.74 36.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.224 . . . . 0.0 112.351 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.0 t -42.38 148.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 24.4 m -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 38.0 pt -140.54 157.48 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.1 mt -108.59 127.38 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' A' ' 102' ' ' LEU . 21.2 t -96.86 97.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.42 170.05 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.761 ' HB2' HD12 ' A' ' 160' ' ' ILE . 18.4 t30 60.35 52.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' A' ' 99' ' ' VAL . 60.7 mt -91.92 152.96 43.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -168.04 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -86.81 -28.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -105.1 24.16 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.7 t -65.81 140.14 58.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -152.97 166.3 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.33 -52.4 62.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -41.07 -33.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.81 -44.9 19.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.56 -51.91 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.419 ' HA ' HD22 ' A' ' 120' ' ' LEU . 1.9 t-160 -46.58 -55.94 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -39.74 81.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.7 tp -56.62 -51.11 69.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 97' ' ' ILE . 38.3 mt -91.65 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -41.63 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -49.86 -42.28 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.737 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 30.4 m-85 -93.59 163.57 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.05 112.01 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.2 mp -86.1 139.29 31.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -105.54 -37.99 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -154.34 150.19 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -140.4 129.33 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -131.1 98.95 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.28 129.19 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.6 t0 -119.88 88.96 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -54.55 -48.47 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -44.53 -45.87 9.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -109.53 14.19 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 126' ' ' ASP . 67.8 mtm-85 38.23 53.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.6 m -138.07 130.98 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -120.09 114.19 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.66 117.74 23.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -113.19 136.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.6 m -110.48 99.38 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 142' ' ' ALA . 75.5 mt -71.37 -178.1 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.68 -64.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -115.52 165.59 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.99 -50.39 29.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.6 -44.69 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -53.34 -47.0 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -62.96 -57.84 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' ALA . 12.6 mm100 -35.16 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 142' ' ' ALA . 6.6 m120 -95.73 -56.95 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.737 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -42.97 -34.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 58.5 mt -53.41 -68.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.82 -41.4 87.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 8.0 mmt -55.58 -26.71 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.07 -10.92 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 7.1 t60 -52.57 139.72 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.8 pt20 45.68 32.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 153' ' ' SER . 30.8 t80 -66.21 160.01 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 2.3 t -80.65 110.46 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -151.42 109.81 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? 58.47 42.26 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 61.97 15.6 49.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.02 171.13 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.64 83.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 152' ' ' TYR . 95.5 mt -47.87 116.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 101' ' ' ASN . 63.0 mt -93.76 117.16 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 146' ' ' ILE . 3.8 t -106.78 131.44 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -132.49 175.99 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 pt -128.92 150.09 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.6 mt -104.59 133.08 50.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.839 ' CG1' HD21 ' A' ' 102' ' ' LEU . 18.6 t -102.71 95.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -101.13 157.33 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t30 74.07 51.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.839 HD21 ' CG1' ' A' ' 99' ' ' VAL . 82.9 mt -93.05 153.84 41.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -166.16 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -92.21 -8.7 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.3 p30 -122.53 22.93 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.57 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.8 t -58.46 138.0 56.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 46.1 m-80 -150.4 162.37 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLN . 37.8 t -62.74 -58.16 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' CYS . 35.0 mt-30 -37.66 -38.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.61 -56.76 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.409 HG11 HG21 ' A' ' 134' ' ' VAL . 43.4 t -59.94 -51.46 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.514 ' HA ' HD22 ' A' ' 120' ' ' LEU . 3.3 t-160 -41.99 -61.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.23 -38.3 82.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.3 -49.0 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.678 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 44.1 mt -98.02 41.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.92 -39.39 81.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -49.85 -36.58 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.64 166.57 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.09 119.58 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.9 mp -92.68 132.12 37.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -100.32 -42.4 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -149.38 143.04 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.24 136.27 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 114.19 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.78 129.39 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.73 89.67 3.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -50.45 -38.16 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -50.99 -56.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -97.16 12.32 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 39.26 52.91 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.8 m -139.76 135.94 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -118.08 134.16 55.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.64 118.02 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.409 HG21 HG11 ' A' ' 111' ' ' VAL . 66.9 t -118.01 130.42 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.2 m -111.2 103.22 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 142' ' ' ALA . 26.2 mt -71.87 -179.11 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 30.0 tp -73.32 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.44 165.48 14.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -72.54 -50.65 14.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 33.5 tt0 -42.44 -35.8 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.41 -37.08 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.691 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -68.1 -50.07 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 146' ' ' ILE . 35.6 mm-40 -41.6 -29.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 23.0 m-80 -93.54 -58.85 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.61 -31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 143' ' ' GLN . 62.7 mt -55.53 -69.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.7 mtt -58.98 -20.5 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.678 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 12.7 m-85 -125.67 -5.98 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -54.76 138.54 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 159' ' ' LEU . 13.5 pt20 41.45 46.58 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 153' ' ' SER . 7.4 t80 -80.03 158.68 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 19.7 t -78.27 97.12 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.03 108.66 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 52.45 28.42 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.38 -20.62 39.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -87.58 139.99 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -91.41 73.25 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.566 HD22 HD23 ' A' ' 102' ' ' LEU . 26.6 mt -36.98 139.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 32.4 mm -110.21 121.19 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.12 126.31 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -140.52 166.82 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.61 150.43 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD2' ' CD2' ' A' ' 133' ' ' PHE . 53.2 mt -106.19 140.04 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.771 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.5 t -108.16 85.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.81 178.29 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.4 t30 61.23 45.35 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.752 HD21 ' CG1' ' A' ' 99' ' ' VAL . 72.5 mt -88.36 152.23 49.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -92.66 -16.1 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 2.7 m-20 -120.72 33.79 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.526 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.6 t -64.07 150.41 45.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 3.3 m-80 -156.83 158.53 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 16.7 t -67.66 -63.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 20.6 tt0 -34.38 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER -67.49 -57.42 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 96.2 t -64.17 -53.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' VAL . 6.9 t60 -34.47 -52.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -41.64 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . 9.9 tp -54.87 -45.37 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.54 48.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -71.05 -39.75 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.87 -46.22 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 11.8 m-85 -85.03 148.83 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.34 122.62 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.16 148.81 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -121.63 -37.38 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -153.31 124.76 7.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 t -120.29 121.42 38.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -134.29 107.23 7.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.3 127.71 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.5 t0 -118.25 90.07 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 128' ' ' ASN . 25.6 ptt180 -58.15 -44.28 87.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 127' ' ' ARG . 38.4 t30 -53.58 -38.53 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 130' ' ' ARG . 23.5 mttt -110.42 11.75 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' ASP . 32.3 mtp180 36.29 54.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 94.4 m -145.46 122.87 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -105.87 120.34 41.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 51.7 m-85 -86.27 114.75 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -120.29 109.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.9 m -86.4 107.24 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.7 mt -74.21 172.63 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.19 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.38 165.36 12.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -65.33 -57.94 10.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 139' ' ' GLY . 8.6 tm-20 -35.48 -49.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -52.24 -44.44 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.18 -59.66 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 139' ' ' GLY . 1.1 mp0 -35.41 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.3 m-80 -95.79 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -37.63 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 144' ' ' ASN . 72.0 mt -62.79 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.93 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 35.1 mmt -51.56 -39.07 57.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.5 -16.32 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -50.22 132.86 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 62.01 39.54 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 1.6 t -75.38 120.07 20.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -152.53 109.48 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 52.98 26.57 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 89.49 -16.19 56.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -93.31 156.17 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' LEU . 19.5 m-20 -98.89 80.26 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 158' ' ' ASP . 41.8 mt -35.44 132.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.9 mm -107.02 104.13 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -93.3 129.81 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -140.15 -179.37 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 163' ' ' LEU . 2.3 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 pt -137.83 153.39 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -107.87 132.53 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.751 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.0 t -104.24 92.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -102.51 162.16 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.2 t30 70.9 51.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.751 HD21 ' CG1' ' A' ' 99' ' ' VAL . 71.9 mt -91.9 155.0 43.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -166.96 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.98 -31.06 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.48 29.75 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.533 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.9 t -63.04 140.73 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -149.42 172.98 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 11.0 t -71.96 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 27.0 mm-40 -38.18 -39.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 5.9 mp0 -64.08 -48.57 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.34 -42.49 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.465 ' CD2' HD22 ' A' ' 120' ' ' LEU . 4.4 m170 -47.08 -63.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.69 -42.65 64.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.2 tp -57.07 -52.18 66.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.473 ' O ' HD11 ' A' ' 120' ' ' LEU . 28.0 mt -94.31 44.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -66.26 -45.87 79.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.54 -51.0 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 33.7 m-85 -82.33 174.84 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -110.78 104.72 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 120' ' ' LEU . 4.6 mp -74.19 130.35 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -102.29 -45.69 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -136.17 119.83 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.57 112.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -125.3 105.88 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.88 125.65 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.94 89.67 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -57.64 -42.1 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -46.84 -43.01 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -113.63 14.43 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 28.7 mtm-85 39.24 51.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -138.66 125.33 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -114.18 115.48 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -83.06 117.63 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.34 117.56 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -95.24 113.73 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.8 mt -81.1 169.13 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.84 -62.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -117.57 176.01 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.63 -50.52 6.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -44.85 -48.1 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -51.02 -41.3 59.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -69.87 -55.38 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 96.1 mm-40 -34.93 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 142' ' ' ALA . 61.5 m-80 -94.5 -58.72 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.01 -39.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 150' ' ' HIS . 43.5 mt -50.94 -67.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -65.08 -50.5 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 6.9 mmt -45.74 -39.54 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -96.91 -21.93 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 146' ' ' ILE . 11.2 t-160 -48.75 132.38 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 59.35 46.08 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.52 ' HD2' HD12 ' A' ' 159' ' ' LEU . 47.2 t80 -92.57 148.47 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.411 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 31.8 t -74.59 120.43 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -156.04 116.82 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 55.14 28.21 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.76 -19.68 23.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -90.66 170.76 9.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -112.9 94.19 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 152' ' ' TYR . 65.6 mt -50.09 119.46 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 77.6 mt -94.9 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 132.31 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.83 174.5 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.438 HG22 HG12 ' A' ' 146' ' ' ILE . 32.2 pt -149.45 153.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -106.98 131.08 54.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 24.0 t -106.43 87.92 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -96.7 160.19 14.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.1 t30 73.77 47.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' CG1' ' A' ' 99' ' ' VAL . 38.4 mt -91.51 156.6 43.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -95.09 -26.91 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.1 30.19 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 5.6 t -62.39 158.16 18.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 106' ' ' SER . 25.1 m120 -162.37 158.46 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.71 -56.92 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.16 -37.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.71 -46.68 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.1 -37.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -49.17 -60.44 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -44.53 65.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.0 tp -55.25 -46.51 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.95 45.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 -30.01 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 -39.24 75.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.3 m-85 -100.65 159.45 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.97 116.87 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.82 126.18 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -92.81 -55.45 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -133.02 136.13 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -133.36 129.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -136.53 106.53 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.91 127.84 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -119.75 89.95 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -55.83 -41.8 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -47.33 -43.78 23.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -110.4 14.17 22.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 39.97 50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -141.66 133.61 27.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.76 43.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.85 121.5 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.03 126.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 65.1 m -105.03 103.21 12.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -71.75 177.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.81 -61.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -123.54 177.37 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -77.57 -57.24 3.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.8 mt-10 -37.16 -41.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -63.04 -44.1 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.87 -51.69 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 24.8 mm-40 -35.95 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 142' ' ' ALA . 45.1 m-80 -96.97 -58.61 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.41 -27.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 97' ' ' ILE . 38.2 mt -61.86 -66.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.83 -49.66 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 80.2 mmm -41.43 -40.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.64 -30.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -39.7 126.93 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 68.89 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 153' ' ' SER . 56.5 t80 -92.76 148.1 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.53 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 15.7 t -77.39 120.54 22.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -149.79 119.65 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 49.75 26.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 92.62 -24.38 23.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -90.14 151.49 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -93.39 99.01 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 75.8 mt -55.81 121.09 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 96.7 mt -96.0 102.56 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.1 t -95.39 123.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -134.93 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.4 pt -146.11 152.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.6 mt -104.61 125.47 50.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.753 ' CG1' HD21 ' A' ' 102' ' ' LEU . 15.6 t -103.4 86.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -94.8 163.97 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.581 ' HB2' HD13 ' A' ' 160' ' ' ILE . 13.9 t-20 74.32 37.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.753 HD21 ' CG1' ' A' ' 99' ' ' VAL . 59.9 mt -81.61 149.42 64.37 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -95.24 -16.32 22.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.19 31.45 6.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.546 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.9 t -73.89 152.57 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.83 162.33 32.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.09 -40.85 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -51.26 -34.13 31.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.45 -53.3 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.31 -54.49 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -39.66 -52.45 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -57.48 -47.17 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.6 tp -52.55 -45.77 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.84 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -2.31 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.67 -28.88 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 14.3 m-85 -104.98 154.27 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.04 128.03 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.18 117.51 34.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -91.08 -45.0 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -151.44 135.27 16.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.42 124.87 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.22 105.99 9.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.64 132.26 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -118.64 93.29 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -27.64 69.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -56.94 -51.49 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -107.12 5.36 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 54.58 49.65 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 92.6 m -137.83 124.41 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -115.8 130.61 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -98.69 112.54 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.46 115.04 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 87.9 m -96.02 115.82 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' A' ' 142' ' ' ALA . 23.2 mt -89.28 -179.17 5.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.14 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -105.61 161.28 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.96 -37.58 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -58.47 -40.56 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.711 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.62 -53.45 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 142' ' ' ALA . 34.3 mm-40 -37.03 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' ALA . 42.1 m-80 -97.48 -50.5 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -46.56 -22.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 150' ' ' HIS . 65.7 mt -80.7 -72.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -51.97 -28.66 17.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 23.6 mmm -68.72 -42.92 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -114.29 26.43 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 146' ' ' ILE . 10.0 t60 -79.76 118.98 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 64.96 45.41 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 153' ' ' SER . 17.9 t80 -84.13 153.23 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.423 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 40.9 t -78.78 112.85 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -132.76 105.5 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 52.57 33.04 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 93.87 -22.89 33.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ASP . . . . . 0.641 ' O ' HD12 ' A' ' 160' ' ' ILE . 22.8 m-20 -87.69 75.75 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' ASP . 90.6 mt -35.32 120.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 158' ' ' ASP . 3.8 mp -98.98 100.4 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.94 126.63 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -137.37 -179.2 5.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 146' ' ' ILE . 21.1 pt -123.61 158.7 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.6 mt -109.78 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.658 ' CG1' HD21 ' A' ' 102' ' ' LEU . 22.4 t -104.96 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -103.71 159.93 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.817 ' HB2' HD12 ' A' ' 160' ' ' ILE . 35.2 t30 73.09 46.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 ' CG1' ' A' ' 99' ' ' VAL . 52.8 mt -89.48 156.23 48.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.96 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -88.78 -9.83 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 30.34 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.515 ' OG ' HD22 ' A' ' 102' ' ' LEU . 5.2 t -68.55 142.98 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -157.69 163.61 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.8 m -56.92 -60.51 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 108' ' ' CYS . 62.4 tt0 -34.41 -43.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.63 -47.04 80.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 108' ' ' CYS . 80.5 t -72.05 -57.94 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 3.1 t-160 -36.15 -63.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.42 -48.35 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 tp -50.83 -43.61 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.652 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 38.5 mt -95.17 41.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -65.4 -32.94 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 13.4 m-85 -90.99 163.61 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.73 131.32 36.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 112' ' ' HIS . 7.3 mp -102.51 128.05 49.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 1.3 mptp? -97.16 -34.21 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -159.51 138.17 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.3 t -131.46 110.05 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -117.99 113.07 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 108' ' ' CYS . 95.7 t -98.64 129.61 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.57 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -59.92 -30.11 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.88 -33.49 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 130' ' ' ARG . 24.0 mttm -119.54 14.65 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 129' ' ' LYS . 33.6 mmt180 37.51 51.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.1 m -143.77 140.71 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.19 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -96.95 122.72 40.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.72 124.24 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.7 m -101.33 99.84 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.93 177.89 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.28 -64.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -117.32 170.58 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.33 -50.49 9.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.24 -47.75 84.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -62.62 -49.93 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 142' ' ' ALA . 15.3 mm100 -37.12 -43.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -89.07 -51.28 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -47.07 -20.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 161' ' ' VAL . 22.4 mt -83.47 -57.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 0.1 OUTLIER -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.0 mmt -75.31 -56.57 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -66.74 -50.11 63.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 149' ' ' PHE . 13.8 t60 -34.1 131.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.432 ' HG2' ' CG ' ' A' ' 150' ' ' HIS . 8.6 mm100 69.44 37.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.4 t80 -94.0 144.8 25.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 24.6 t -76.58 106.45 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -134.28 104.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 57.58 27.37 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.1 -19.23 43.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -91.12 136.48 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -87.42 89.93 8.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 102' ' ' LEU . 90.2 mt -47.39 133.03 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 101' ' ' ASN . 55.7 mt -106.04 103.97 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 146' ' ' ILE . 21.9 t -98.77 124.11 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.54 158.78 43.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -143.0 157.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.87 125.69 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -97.19 97.45 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -104.9 159.17 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.8 t30 74.82 46.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 HG11 ' A' ' 99' ' ' VAL . 48.7 mt -86.39 156.28 56.73 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -89.85 -30.1 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.06 36.57 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.523 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.1 t -69.51 149.73 47.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -155.4 169.5 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 52.7 t -73.64 -61.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 26.9 mt-30 -34.43 -47.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.02 -50.15 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' CYS . 88.2 t -61.62 -44.68 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -42.63 -62.52 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.63 -45.97 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.18 -45.38 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 mt -95.37 36.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.2 ptpp? -59.24 -44.51 92.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 6.2 m-20 -47.66 -45.17 27.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -93.27 144.91 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.08 123.63 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.67 135.07 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -107.95 -39.65 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -151.64 130.23 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.41 129.04 44.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -129.47 113.76 15.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.41 126.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.56 90.9 3.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.44 -29.86 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.494 ' ND2' ' HG3' ' A' ' 129' ' ' LYS . 6.3 p-10 -56.9 -44.3 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG3' ' ND2' ' A' ' 128' ' ' ASN . 46.0 mttt -112.19 14.27 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 42.21 53.45 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.7 m -140.49 141.25 35.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.12 120.09 30.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.35 115.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.07 128.47 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.5 m -105.97 102.07 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 142' ' ' ALA . 54.0 mt -75.13 175.08 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -114.75 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.87 -52.34 20.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -39.84 -43.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -56.72 -43.64 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.757 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.53 -51.52 49.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 146' ' ' ILE . 53.9 mm-40 -34.99 -36.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.5 m-80 -90.63 -60.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 143' ' ' GLN . 57.5 mt -50.31 -67.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -68.1 -46.55 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.4 mmm -44.37 -41.29 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' A' ' 161' ' ' VAL . 3.3 m-85 -92.84 -35.67 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -38.6 125.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.418 ' HB3' HE21 ' A' ' 151' ' ' GLN . 2.9 mm100 68.15 42.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 153' ' ' SER . 47.8 t80 -87.88 164.28 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 40.8 t -91.19 109.16 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -153.11 105.89 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 64.02 36.53 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 60.78 23.93 61.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -116.28 169.49 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -110.03 73.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 152' ' ' TYR . 34.3 mt -40.06 119.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 72.7 mt -100.25 104.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 149' ' ' PHE . 12.1 t -95.88 129.38 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -131.94 167.61 19.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.452 ' HB2' HD11 ' A' ' 146' ' ' ILE . 5.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 pt -138.34 161.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.77 130.99 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.832 ' CG1' HD21 ' A' ' 102' ' ' LEU . 19.1 t -104.57 91.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.28 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.619 ' O ' HD23 ' A' ' 159' ' ' LEU . 28.4 t30 71.11 48.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.832 HD21 ' CG1' ' A' ' 99' ' ' VAL . 80.9 mt -82.53 155.36 68.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.8 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.96 -26.05 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.9 p-10 -117.11 39.0 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.559 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.2 t -65.0 143.7 57.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 6.3 m-80 -153.0 156.78 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' VAL . 48.5 t -59.0 -62.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' CYS . 28.1 mm-40 -34.99 -42.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.77 -48.17 81.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' CYS . 82.2 t -71.34 -53.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.75 -56.99 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -61.97 -46.34 89.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.99 -39.93 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 22.4 mt -98.66 46.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -69.04 -32.13 71.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -58.64 -42.52 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 15.1 m-85 -95.34 149.04 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.53 121.26 25.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -94.91 163.48 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -133.52 -44.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.15 130.21 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -129.81 102.73 6.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.79 125.44 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.9 t70 -119.23 90.55 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -59.44 -43.01 93.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.17 -43.57 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -109.52 2.22 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 126' ' ' ASP . 50.7 mtm-85 50.99 51.76 16.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 93.5 m -142.17 126.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.0 119.52 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -88.34 117.11 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.1 t -111.04 137.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 m -113.58 102.34 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.827 HD12 ' HB2' ' A' ' 142' ' ' ALA . 76.0 mt -74.02 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -72.07 -50.1 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -136.15 168.15 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -70.58 -53.67 12.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -38.05 -45.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.324 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.79 -43.73 90.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.827 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.68 -50.6 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 146' ' ' ILE . 33.5 mm-40 -35.19 -40.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -86.31 -58.42 2.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -39.98 -36.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 163' ' ' LEU . 36.7 mt -48.03 -64.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -71.0 -48.67 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 2.8 mtt -47.66 -31.13 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.521 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -105.28 -26.01 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 16.7 t60 -42.01 135.43 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.1 pt20 48.37 35.94 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.9 t80 -69.49 156.34 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.46 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 1.7 t -76.91 105.86 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 159' ' ' LEU . 22.2 t80 -144.78 105.66 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.423 ' NH2' ' OD2' ' A' ' 105' ' ' ASP . 31.0 mtt-85 56.2 35.78 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.83 70.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -114.45 144.66 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.312 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -91.65 64.9 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 101' ' ' ASN . 79.1 mt -38.93 122.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 78.4 mt -93.14 101.76 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.9 t -96.95 130.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -138.66 174.81 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.1 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.533 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 28.1 pt -142.09 158.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.7 mt -106.69 125.31 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 99' ' ' VAL . 34.5 t -97.4 87.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -96.19 163.25 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 72.59 42.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.642 HD22 ' OG ' ' A' ' 106' ' ' SER . 40.9 mt -87.78 157.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -81.65 -35.8 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.489 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 14.6 t70 -104.16 32.92 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.642 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.3 t -66.24 152.1 45.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 4.3 m-80 -158.22 166.33 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.591 ' N ' HG21 ' A' ' 125' ' ' VAL . 10.4 t -62.82 -60.12 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 39.6 tp60 -34.78 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.63 -48.65 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' CYS . 98.6 t -68.11 -53.47 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.2 t-160 -39.43 -61.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.5 -39.96 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.64 -45.15 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.646 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 37.4 mt -101.87 39.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -62.34 -48.14 81.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -39.39 -47.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -87.82 154.54 20.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.64 129.48 34.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 115' ' ' LEU . 8.3 mp -107.0 117.69 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -89.72 -48.17 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -147.29 146.93 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.75 129.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -124.07 102.68 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.591 HG21 ' N ' ' A' ' 108' ' ' CYS . 91.9 t -88.6 125.63 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -119.41 90.01 3.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -51.44 -46.7 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.7 -45.28 28.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 130' ' ' ARG . 21.3 mmtp -103.98 15.06 29.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER 33.62 54.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.9 m -146.44 141.74 27.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.02 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.67 113.89 26.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.4 t -106.58 134.1 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.3 m -109.25 104.78 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 142' ' ' ALA . 74.3 mt -82.01 177.85 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.47 -51.44 43.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -140.03 178.57 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.01 -53.63 5.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' GLY . 18.3 mt-10 -36.13 -38.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -68.68 -46.14 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.582 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.36 -52.48 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 9.0 mm100 -34.98 -32.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.8 m-80 -92.4 -62.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -37.01 -38.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.466 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 47.5 mt -50.36 -65.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.24 -54.0 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 14.5 mtt -42.66 -38.8 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.646 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 6.0 m-85 -95.86 -26.99 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 151' ' ' GLN . 15.5 t60 -45.16 126.85 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.555 ' HG2' ' CE1' ' A' ' 150' ' ' HIS . 6.9 mm100 66.93 43.05 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.487 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.9 t80 -86.72 160.54 18.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.487 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.7 t -86.95 109.94 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -151.93 112.31 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 54.8 42.7 30.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.03 55.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -122.89 157.32 32.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -104.71 79.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 102' ' ' LEU . 92.1 mt -46.32 125.41 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 88.4 mt -103.33 111.01 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 10.4 t -99.32 129.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -135.03 176.66 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.0 pt -125.87 160.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.178 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.2 mt -106.06 134.5 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.666 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 15.6 t -101.64 93.84 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -107.72 161.3 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.634 ' HB2' HD12 ' A' ' 160' ' ' ILE . 6.1 t-20 71.8 43.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.617 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -84.0 156.36 63.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.9 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.361 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.1 pm0 -87.56 -29.87 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.9 m-20 -108.81 32.47 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.617 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.3 t -63.7 147.18 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 37.2 m-80 -160.54 162.73 33.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.461 ' N ' HG21 ' A' ' 125' ' ' VAL . 47.9 t -60.93 -56.77 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -38.4 -39.18 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.15 -48.08 66.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -66.27 -54.25 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -39.52 -60.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -56.41 -38.83 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.54 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 149' ' ' PHE . 78.1 mt -91.27 45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -66.29 -36.55 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 116' ' ' LYS . 22.7 m-20 -52.81 -44.98 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.95 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 4.9 m-85 -94.98 160.15 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.22 108.11 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.94 122.31 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -89.46 -34.85 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -160.92 139.7 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.77 129.51 38.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -133.52 103.2 5.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.9 t -88.38 130.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -114.76 114.81 26.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER -83.96 23.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.418 ' HA ' ' NH2' ' A' ' 127' ' ' ARG . 31.4 t30 -98.69 -54.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -117.02 10.63 14.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 62.6 43.04 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.9 m -123.32 133.83 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.666 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -124.05 125.4 44.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.32 117.35 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.21 129.88 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 90.6 m -108.68 116.36 31.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.894 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.8 mt -85.96 177.62 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.9 -58.15 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.55 152.25 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.87 54.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -45.23 -44.79 11.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.356 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.7 -40.78 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.894 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.19 -54.08 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 146' ' ' ILE . 79.5 mm-40 -35.46 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -85.44 -60.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.95 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.36 -45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 163' ' ' LEU . 47.0 mt -42.77 -63.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -68.93 -57.36 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.7 mmt -41.24 -33.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 152' ' ' TYR . 11.7 m-85 -104.28 -22.43 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 146' ' ' ILE . 13.4 t60 -42.99 148.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 150' ' ' HIS . 1.7 pp0? 32.74 42.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.557 ' CE2' ' O ' ' A' ' 153' ' ' SER . 10.5 t80 -76.59 161.51 28.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.557 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 9.3 t -77.32 106.04 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.485 ' CG ' HD11 ' A' ' 159' ' ' LEU . 64.6 t80 -148.97 122.67 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 46.82 45.73 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 54.41 27.22 40.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -126.88 173.35 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 77.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.485 HD11 ' CG ' ' A' ' 154' ' ' PHE . 56.2 mt -44.19 129.62 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 101' ' ' ASN . 83.6 mt -101.0 113.56 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 146' ' ' ILE . 21.3 t -102.26 130.03 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -134.38 179.0 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 146' ' ' ILE . 3.8 mm? . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 pt -135.16 154.82 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.54 128.79 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.564 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -99.81 96.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -105.06 160.67 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.9 t30 72.34 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.766 HD22 ' OG ' ' A' ' 106' ' ' SER . 58.0 mt -90.33 155.84 46.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -163.32 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -86.41 -35.44 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.0 m-20 -107.29 36.05 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.766 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.7 t -68.74 138.95 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 5.7 m-80 -154.63 168.46 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.8 m -66.94 -55.3 15.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.2 mm-40 -34.23 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' CYS . 5.8 tp10 -81.44 -57.19 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.5 t -47.9 -48.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.504 ' ND1' HD22 ' A' ' 120' ' ' LEU . 3.2 t60 -44.13 -63.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -50.07 -44.12 51.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 63.2 tp -57.49 -47.36 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.612 ' O ' HD11 ' A' ' 120' ' ' LEU . 29.4 mt -98.52 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 17.8 ptmt -66.48 -46.41 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 9.4 m-20 -44.58 -46.0 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 20.3 m-85 -86.71 163.61 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -89.74 126.43 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.612 HD11 ' O ' ' A' ' 115' ' ' LEU . 6.9 mp -100.13 127.83 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.609 ' HD3' HG22 ' A' ' 135' ' ' THR . 6.5 mtpm? -102.14 -47.86 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -148.28 140.16 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.11 128.42 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -130.61 105.46 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' SG ' ' A' ' 108' ' ' CYS . 94.9 t -83.75 128.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.15 97.2 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 9.1 mmp_? -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -45.69 -43.64 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -112.61 14.1 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 39.57 54.79 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.9 m -144.88 140.0 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.91 123.28 40.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.67 118.1 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.55 127.97 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.609 HG22 ' HD3' ' A' ' 121' ' ' LYS . 92.9 m -104.09 117.58 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 142' ' ' ALA . 98.2 mt -88.72 173.63 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.45 -68.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -115.31 164.38 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -64.6 -56.81 14.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 139' ' ' GLY . 15.9 tt0 -34.87 -49.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.61 -47.16 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.69 -52.12 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 142' ' ' ALA . 1.8 mp0 -34.79 -40.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 146' ' ' ILE . 13.8 m-80 -89.41 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.24 -26.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 144' ' ' ASN . 56.9 mt -61.81 -72.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.31 -41.5 89.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 148' ' ' MET . 0.9 OUTLIER -48.49 -41.93 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.11 -25.94 15.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -41.27 128.38 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 62.63 47.33 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 153' ' ' SER . 49.9 t80 -93.04 154.83 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.556 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.1 t -73.15 117.56 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 159' ' ' LEU . 10.6 t80 -151.98 107.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 51.89 35.04 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.86 -14.42 31.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -94.23 157.14 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.16 90.53 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 154' ' ' PHE . 88.8 mt -46.97 124.19 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.8 mm -99.69 107.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.23 129.0 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -129.45 164.05 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.8 pt -151.26 156.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.1 mt -103.86 126.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.624 ' O ' HG12 ' A' ' 99' ' ' VAL . 12.2 t -102.27 90.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 160' ' ' ILE . 20.6 t30 72.52 51.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.461 HD21 HG11 ' A' ' 99' ' ' VAL . 33.5 mt -90.06 157.69 45.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -90.78 -32.24 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.23 33.38 3.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.536 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 33.4 t -62.89 148.61 46.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 106' ' ' SER . 24.9 m120 -160.73 162.42 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.22 -55.44 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -40.73 -41.05 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.4 -47.86 77.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.12 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -40.63 -67.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.5 -46.24 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' CD1' ' CE2' ' A' ' 152' ' ' TYR . 51.4 tp -51.72 -48.76 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.844 HD23 ' CE2' ' A' ' 149' ' ' PHE . 40.0 mt -99.42 28.65 4.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -51.23 -45.39 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -44.73 -44.37 9.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.6 m-85 -94.52 165.08 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.64 128.51 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.45 122.68 44.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -94.86 -40.61 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -148.31 138.33 22.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 8.0 p -137.52 125.8 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -127.85 98.94 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.97 128.33 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.95 110.86 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -73.69 -44.34 56.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -49.42 -41.61 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -113.45 14.72 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' LYS . 61.5 mtm-85 35.9 54.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.1 m -137.92 137.17 37.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.3 118.74 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.69 115.79 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.87 137.4 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.7 m -112.98 101.7 9.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 142' ' ' ALA . 88.1 mt -72.62 -179.22 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 24.0 tp -80.46 -59.48 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -117.57 152.12 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.14 -51.62 55.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 36.4 tt0 -42.35 -43.06 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -58.63 -42.15 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.709 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -63.93 -56.43 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 146' ' ' ILE . 2.0 mp0 -35.74 -38.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 32.3 m-80 -87.23 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -36.57 -44.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 143' ' ' GLN . 20.4 mt -47.27 -54.89 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 148' ' ' MET . 4.1 tt0 -71.37 -62.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 147' ' ' GLN . 6.9 mmm -38.2 -35.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.844 ' CE2' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -92.66 -39.47 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.3 t60 -38.43 131.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.585 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 32.5 mt-30 63.63 42.97 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 153' ' ' SER . 19.5 t80 -89.73 155.42 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 15.3 t -84.82 110.4 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -149.67 108.12 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 63.98 36.49 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 64.32 18.56 63.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -115.77 173.15 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.47 84.07 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.409 HD21 HD23 ' A' ' 102' ' ' LEU . 69.1 mt -48.4 131.86 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.8 mt -107.2 101.23 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.5 t -96.35 124.02 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.93 171.62 14.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.437 HD12 ' CG1' ' A' ' 161' ' ' VAL . 39.4 pt -139.26 152.93 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.85 133.49 52.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 20.7 t -105.77 88.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -89.74 162.61 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.0 t30 72.97 49.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 99' ' ' VAL . 38.6 mt -97.43 157.34 34.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.18 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -94.76 -22.47 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.3 34.72 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -66.85 150.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -156.99 161.68 39.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.21 -50.26 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -38.45 -32.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 154' ' ' PHE . 4.1 tp10 -80.55 -51.71 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' HIS . 95.3 t -60.84 -55.04 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.2 t60 -34.61 -49.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.22 -48.39 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 111' ' ' VAL . 21.5 tp -50.34 -53.15 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -93.73 30.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -52.98 -44.95 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -51.52 -48.52 62.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 14.1 m-85 -84.55 148.83 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -76.54 142.12 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.77 116.83 30.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -89.65 -35.3 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -158.11 137.41 11.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.9 p -139.87 128.97 23.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.99 111.75 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.2 t -98.39 127.96 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.84 89.1 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.28 -24.61 29.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' ARG . 51.1 mttt -117.07 17.51 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' LYS . 3.4 mpt_? 33.43 54.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.5 m -149.69 128.13 12.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.8 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.78 117.37 30.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.92 137.88 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.3 m -116.94 101.58 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 142' ' ' ALA . 73.4 mt -75.1 -179.35 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.55 -67.54 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -124.25 179.54 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.66 -52.28 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -39.33 -39.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -67.39 -45.28 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.67 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.25 -50.13 64.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' ' 146' ' ' ILE . 8.1 mm100 -37.22 -33.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 142' ' ' ALA . 47.9 m-80 -92.77 -59.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -40.41 -42.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.547 HG22 ' OE1' ' A' ' 147' ' ' GLN . 19.3 mt -44.74 -61.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.547 ' OE1' HG22 ' A' ' 146' ' ' ILE . 3.1 mp0 -71.26 -49.29 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.8 mmt -50.09 -20.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -122.38 -10.98 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 5.6 t60 -51.08 139.05 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 9.3 pt20 43.96 51.95 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 153' ' ' SER . 11.0 t80 -86.05 159.04 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.574 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 10.5 t -74.44 107.62 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.617 ' CD1' HD11 ' A' ' 159' ' ' LEU . 22.3 t80 -133.53 102.85 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 47.62 35.14 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.82 -26.23 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -86.18 146.54 26.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -97.92 102.11 13.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 154' ' ' PHE . 23.5 mt -58.25 129.25 41.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.02 104.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 146' ' ' ILE . 2.7 t -94.29 126.42 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.94 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -138.01 157.14 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.37 132.93 50.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 99' ' ' VAL . 19.1 t -109.49 88.02 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -94.12 165.49 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 68.84 52.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 106' ' ' SER . 45.1 mt -97.03 156.37 36.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -174.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.25 -31.77 33.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 5.1 t0 -103.57 26.06 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.7 t -59.29 141.33 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 20.2 m-80 -152.3 165.53 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 12.9 t -63.79 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 10.6 tt0 -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.62 -53.89 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.4 -49.21 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.32 -59.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.39 -41.85 85.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.44 -39.96 77.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.82 40.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 11.6 ptpt -62.39 -48.34 80.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 5.1 m-20 -41.87 -46.64 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 19.3 m-85 -88.3 162.03 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.81 125.8 36.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.22 131.97 44.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 137' ' ' LEU . 1.3 mptp? -103.13 -49.4 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -143.91 136.34 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -132.13 129.14 39.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -132.16 98.02 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.67 126.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.7 m-20 -119.04 92.32 3.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -60.05 -43.49 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -46.76 -34.32 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -123.1 14.27 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 126' ' ' ASP . 61.1 mtm180 38.59 54.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.6 m -142.68 117.73 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.5 125.04 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -92.37 119.64 32.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.45 132.84 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.7 m -110.3 106.79 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.957 HD12 ' HB2' ' A' ' 142' ' ' ALA . 53.0 mt -79.25 176.96 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 121' ' ' LYS . 20.6 tp -67.31 -62.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' CB ' ' OE2' ' A' ' 140' ' ' GLU . 86.0 m-20 -121.24 171.44 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.42 -47.05 11.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 141' ' ' GLN . 24.4 pm0 -47.19 -33.86 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.462 ' N ' ' HG2' ' A' ' 140' ' ' GLU . 5.6 mt-30 -69.9 -41.06 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.21 -49.39 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' ALA . 42.0 mm-40 -35.43 -33.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 142' ' ' ALA . 56.7 m-80 -95.74 -57.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.18 -22.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.59 HD13 HD22 ' A' ' 163' ' ' LEU . 38.8 mt -71.21 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -60.16 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 68.5 mmm -56.14 -51.89 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -87.52 -17.19 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.9 t60 -49.25 127.55 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 69.8 mt-30 66.0 45.27 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -97.32 149.57 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 25.4 t -74.05 120.85 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -153.75 106.96 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 64.05 27.2 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.4 -29.39 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -87.11 163.86 16.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -107.64 102.72 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.9 mt -56.07 128.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 28.0 mm -105.94 104.0 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.21 127.62 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -142.04 172.95 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 146' ' ' ILE . 4.3 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.572 HD12 ' CG1' ' A' ' 161' ' ' VAL . 36.3 pt -144.21 159.89 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.68 141.9 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 102' ' ' LEU . 24.9 t -112.4 87.32 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -93.9 162.55 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 160' ' ' ILE . 28.7 t30 72.53 43.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 HG11 ' A' ' 99' ' ' VAL . 49.1 mt -84.84 156.65 61.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.81 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -89.71 -31.81 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.7 p-10 -108.26 35.33 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 28.5 t -63.51 156.29 26.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 48.6 m-80 -161.64 162.37 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 109' ' ' GLN . 44.0 t -70.97 -61.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.5 tp60 -34.32 -40.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.77 -52.62 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 108' ' ' CYS . 86.7 t -61.17 -53.34 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.547 ' HA ' HD22 ' A' ' 120' ' ' LEU . 10.8 t-80 -37.77 -54.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.05 -43.79 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.726 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 29.4 mt -95.89 29.45 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -41.53 40.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -45.55 -51.13 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -94.61 157.3 16.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.09 135.68 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.547 HD22 ' HA ' ' A' ' 112' ' ' HIS . 6.4 mp -108.9 120.52 42.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -88.29 -56.08 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -137.12 139.68 41.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.07 126.78 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -124.25 101.47 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.26 127.06 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' ARG . 9.5 m-20 -120.03 95.85 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -58.59 -42.74 88.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -50.85 -39.66 54.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 130' ' ' ARG . 19.7 mttm -113.59 15.89 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 129' ' ' LYS . 1.6 mpp_? 33.72 55.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.495 ' CA ' HD12 ' A' ' 102' ' ' LEU . 74.0 m -142.28 133.1 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -119.85 126.42 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -93.52 113.3 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.24 123.6 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.4 m -101.12 103.02 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.732 HD12 ' HB2' ' A' ' 142' ' ' ALA . 78.1 mt -76.25 172.74 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.7 -59.04 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -117.56 157.92 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.22 65.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -43.24 -46.59 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -52.16 -47.03 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.732 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.05 -49.43 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 63.1 mm-40 -34.89 -40.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 143' ' ' GLN . 34.4 mt -60.98 -67.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.54 -44.32 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 18.9 mtp -45.62 -42.68 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.726 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -93.48 -33.62 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' PHE . 68.5 t60 -36.97 125.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 66.94 40.8 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 153' ' ' SER . 40.7 t80 -84.71 161.95 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 1.7 t -86.38 110.38 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -152.6 114.66 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 52.52 40.52 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.54 24.99 57.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -119.49 166.32 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.28 69.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 84.5 mt -38.04 125.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.457 HD12 ' HB2' ' A' ' 101' ' ' ASN . 26.1 mt -101.38 106.53 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 97' ' ' ILE . 3.8 t -95.92 134.16 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.87 172.07 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 146' ' ' ILE . 23.7 pt -143.73 151.94 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.4 mt -105.95 127.14 52.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.6 t -96.63 94.94 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -101.12 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.442 ' HB2' HD12 ' A' ' 160' ' ' ILE . 37.5 t30 69.24 53.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 99' ' ' VAL . 85.4 mt -91.59 153.69 44.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -164.78 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -87.97 -26.49 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -111.99 33.31 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.646 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -70.07 145.33 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -160.08 169.08 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -59.44 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 92.4 mm-40 -34.99 -40.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.95 -53.69 50.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -46.36 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -40.48 -63.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.37 -46.08 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.05 -45.27 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.45 41.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.5 ptmm? -64.13 -43.82 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 25.8 t0 -48.08 -45.62 32.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -90.23 148.31 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.6 127.53 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.03 125.03 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -88.56 -40.8 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.75 134.69 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.5 t -130.29 118.74 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.62 118.69 23.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.0 t -95.03 132.38 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -118.98 89.81 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -59.04 -41.47 87.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.79 -42.81 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -112.31 13.05 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 41.59 53.95 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.3 m -147.98 132.76 17.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -116.42 128.83 55.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.39 122.38 34.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.58 125.99 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.2 m -105.93 101.84 11.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.849 HD12 ' HB2' ' A' ' 142' ' ' ALA . 91.4 mt -70.74 -179.83 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.45 -61.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -121.69 175.56 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.77 -56.98 3.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -37.68 -37.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.41 -46.03 77.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.849 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.59 -52.2 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' ALA . 27.8 mm-40 -35.13 -34.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 142' ' ' ALA . 5.4 m-80 -94.55 -54.54 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.73 -30.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 97' ' ' ILE . 32.6 mt -60.09 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -64.83 -44.03 91.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 mtt -49.76 -34.25 18.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -105.86 -18.07 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.577 ' CD2' ' HG3' ' A' ' 151' ' ' GLN . 11.6 t-160 -48.49 128.91 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.577 ' HG3' ' CD2' ' A' ' 150' ' ' HIS . 35.1 mt-30 65.2 42.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -92.97 150.29 20.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.42 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 23.2 t -76.58 124.72 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.49 ' CG ' HD11 ' A' ' 159' ' ' LEU . 14.2 t80 -156.08 106.41 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 64.85 26.51 12.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.73 -25.05 14.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -88.99 156.64 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.99 95.9 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 154' ' ' PHE . 52.1 mt -54.47 125.31 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.9 mt -103.23 106.04 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.68 126.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -131.51 174.63 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 24.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 40.3 pt -140.29 152.17 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 mt -103.2 131.68 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 102' ' ' LEU . 20.0 t -102.16 100.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -106.83 156.99 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.623 ' HB2' HD12 ' A' ' 160' ' ' ILE . 17.0 t30 74.96 47.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' OG ' ' A' ' 106' ' ' SER . 37.7 mt -88.66 157.33 49.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.413 ' CB ' ' HD3' ' A' ' 155' ' ' ARG . 53.7 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.94 -37.37 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.4 t70 -100.24 31.7 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.569 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -68.36 150.96 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 14.0 m-80 -162.64 167.43 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.7 m -70.81 -58.83 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' CYS . 15.1 mt-30 -33.97 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 108' ' ' CYS . 10.3 tp10 -76.45 -48.77 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 108' ' ' CYS . 97.2 t -63.21 -47.27 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.1 t-160 -38.39 -60.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -57.93 -42.64 85.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.9 -49.37 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 120' ' ' LEU . 31.3 mt -95.3 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 20.9 pttp -68.62 -42.9 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 38.3 m-20 -48.62 -47.94 39.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -89.32 166.62 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.13 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 115' ' ' LEU . 7.0 mp -113.49 122.19 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -94.06 -43.12 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 124' ' ' TYR . 76.4 t80 -147.51 135.28 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.8 t -132.79 105.7 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.577 ' HB2' ' CE2' ' A' ' 122' ' ' TYR . 79.5 t80 -117.24 112.5 20.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 108' ' ' CYS . 59.1 t -101.52 139.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.54 137.36 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -29.12 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.02 -33.27 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -102.66 -5.4 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 43.31 45.86 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 75.9 m -134.62 139.2 45.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.57 118.17 29.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.25 117.99 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.93 118.88 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.6 m -97.89 106.88 19.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 142' ' ' ALA . 92.4 mt -77.24 174.71 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.14 -58.82 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -118.75 169.0 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.79 -50.48 7.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -44.86 -34.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -63.11 -44.5 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.24 -49.12 46.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.51 ' OE1' HD21 ' A' ' 163' ' ' LEU . 11.0 mm100 -36.46 -38.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -88.71 -61.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.42 -45.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.49 ' HA ' HG11 ' A' ' 161' ' ' VAL . 34.3 mt -44.25 -59.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' MET . 5.0 tt0 -69.85 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 147' ' ' GLN . 13.8 mmt -38.03 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' HIS . 3.1 m-85 -90.88 -40.03 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -37.54 124.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 66.22 41.72 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.505 ' CG ' ' N ' ' A' ' 153' ' ' SER . 38.4 t80 -90.01 162.43 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 6.9 t -82.8 103.36 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.424 ' CG ' HD11 ' A' ' 159' ' ' LEU . 40.4 t80 -142.54 107.79 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.413 ' HD3' ' CB ' ' A' ' 103' ' ' PRO . 23.8 mtp85 55.13 42.75 30.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 55.86 27.29 49.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -118.95 174.93 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -115.67 76.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 154' ' ' PHE . 75.1 mt -46.14 125.14 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 101' ' ' ASN . 61.7 mt -103.67 105.98 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 146' ' ' ILE . 14.3 t -97.44 128.86 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.65 175.13 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.51 HD21 ' OE1' ' A' ' 143' ' ' GLN . 15.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 HG13 ' A' ' 161' ' ' VAL . 44.0 pt -142.78 161.5 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.1 mt -108.52 132.96 53.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.845 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 19.1 t -99.28 92.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 72.03 48.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.732 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -88.88 156.53 49.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.228 . . . . 0.0 112.36 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -84.93 -28.22 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -114.64 37.97 3.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.732 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -69.24 153.92 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 106' ' ' SER . 17.5 m120 -162.22 168.18 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.459 ' N ' HG21 ' A' ' 125' ' ' VAL . 20.4 t -63.82 -61.17 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 45.0 mm-40 -34.73 -41.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.75 -51.51 66.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 112' ' ' HIS . 85.2 t -68.41 -55.43 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' VAL . 44.2 t-80 -35.59 -60.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.86 -42.27 79.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.67 -52.01 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.834 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 27.0 mt -86.49 26.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -49.62 -49.92 45.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -40.94 -47.47 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 2.3 m-85 -91.23 146.76 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.51 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 112' ' ' HIS . 6.8 mp -95.26 130.2 42.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -100.59 -38.32 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -161.0 136.86 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -131.33 129.0 40.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -127.98 101.48 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.3 t -86.73 121.09 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.11 89.13 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -54.51 -42.98 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -43.41 -45.04 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -112.03 14.99 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 41.11 47.37 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.2 m -133.02 136.16 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.845 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -121.58 113.42 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -81.76 106.56 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -106.9 132.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 94.7 m -112.28 103.33 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.78 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -74.4 178.68 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.5 tp -71.61 -58.54 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -127.47 177.21 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -75.81 -54.47 5.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.3 mm-40 -36.97 -44.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.61 -47.99 82.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.78 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.92 -53.03 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 142' ' ' ALA . 14.2 mm100 -34.98 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.9 m-80 -95.35 -59.98 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.89 -31.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.57 -58.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.56 -35.43 80.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.4 mtp -68.42 -54.76 14.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.834 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 4.6 m-85 -65.65 -48.08 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.485 ' C ' ' O ' ' A' ' 149' ' ' PHE . 12.3 t-80 -31.76 127.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 68.22 40.09 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 153' ' ' SER . 35.2 t80 -87.26 160.12 18.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 10.5 t -91.3 103.66 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -145.15 110.74 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 58.34 45.66 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 53.31 28.35 34.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -128.69 155.65 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.52 77.58 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 65.4 mt -44.59 126.48 5.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 37.0 mm -99.85 117.29 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 97' ' ' ILE . 20.5 t -106.85 128.64 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -131.4 172.82 11.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 pt -139.23 154.16 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.35 131.39 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.57 HG11 HD21 ' A' ' 102' ' ' LEU . 17.9 t -99.57 97.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -108.68 156.55 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.0 t30 74.11 48.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.686 HD22 ' OG ' ' A' ' 106' ' ' SER . 46.5 mt -88.51 156.65 50.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -90.05 -31.08 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.3 m-20 -108.9 35.15 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.686 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.3 t -71.11 151.36 44.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 1.7 m-80 -157.92 156.64 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 111' ' ' VAL . 40.8 t -63.52 -58.94 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' CYS . 66.6 mt-30 -34.91 -36.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' CYS . 6.5 tp10 -72.96 -48.41 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' CYS . 89.8 t -63.0 -40.71 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -47.68 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -52.3 -41.65 63.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.46 -53.76 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 39.9 mt -88.01 39.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 25.3 pttm -61.82 -45.22 94.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 45.9 m-20 -46.23 -46.09 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.436 ' O ' HD12 ' A' ' 120' ' ' LEU . 5.9 m-85 -91.59 143.19 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.78 120.96 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 118' ' ' TYR . 7.0 mp -94.42 128.82 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -96.38 -44.39 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 145.74 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.73 131.28 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -138.5 111.28 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 132' ' ' ALA . 69.9 t -91.99 144.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.44 148.79 38.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -103.96 -24.64 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -74.26 -44.61 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' ARG . 42.6 mttt -112.68 14.53 20.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' LYS . 29.7 mmm180 36.2 51.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 m -129.36 142.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 125' ' ' VAL . . . -122.31 127.75 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.03 124.1 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.01 135.17 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 91.5 m -109.12 106.17 15.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.0 mt -77.23 179.0 6.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 46.2 tp -82.74 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -111.76 153.38 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.63 -47.36 77.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.81 -34.92 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.92 -44.95 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -65.76 -51.1 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 146' ' ' ILE . 66.1 mm-40 -35.02 -41.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.97 -56.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.92 -27.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 163' ' ' LEU . 33.1 mt -58.71 -64.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -71.72 -42.63 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 19.5 mmm -47.13 -33.96 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 5.7 m-85 -100.85 -41.33 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -34.74 126.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.74 48.96 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' TYR . . . . . 0.453 ' CG ' ' N ' ' A' ' 153' ' ' SER . 37.7 t80 -91.63 160.66 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 30.8 t -85.52 99.74 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -145.85 114.42 6.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 55.77 41.53 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.36 13.13 14.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -108.58 170.67 7.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.78 77.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 102' ' ' LEU . 75.1 mt -44.87 118.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 82.8 mt -94.54 104.16 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.615 HG21 ' CB ' ' A' ' 149' ' ' PHE . 20.3 t -97.06 127.46 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -132.55 175.54 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.669 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.0 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -120.0 -55.04 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -68.03 148.62 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.49 -175.76 14.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.5 m -75.59 81.42 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 m -86.78 82.15 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . 171.34 152.19 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 38.0 pt -140.54 157.48 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.1 mt -108.59 127.38 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' A' ' 102' ' ' LEU . 21.2 t -96.86 97.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.42 170.05 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.761 ' HB2' HD12 ' A' ' 160' ' ' ILE . 18.4 t30 60.35 52.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' A' ' 99' ' ' VAL . 60.7 mt -91.92 152.96 43.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -168.04 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -86.81 -28.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -105.1 24.16 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.7 t -65.81 140.14 58.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -152.97 166.3 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.33 -52.4 62.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -41.07 -33.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.81 -44.9 19.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.56 -51.91 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.419 ' HA ' HD22 ' A' ' 120' ' ' LEU . 1.9 t-160 -46.58 -55.94 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -39.74 81.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.7 tp -56.62 -51.11 69.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 97' ' ' ILE . 38.3 mt -91.65 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -41.63 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -49.86 -42.28 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.737 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 30.4 m-85 -93.59 163.57 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.05 112.01 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.2 mp -86.1 139.29 31.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -105.54 -37.99 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -154.34 150.19 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -140.4 129.33 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -131.1 98.95 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.28 129.19 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.6 t0 -119.88 88.96 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -54.55 -48.47 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -44.53 -45.87 9.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -109.53 14.19 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 126' ' ' ASP . 67.8 mtm-85 38.23 53.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.6 m -138.07 130.98 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -120.09 114.19 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.66 117.74 23.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -113.19 136.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.6 m -110.48 99.38 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 142' ' ' ALA . 75.5 mt -71.37 -178.1 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.68 -64.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -115.52 165.59 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.99 -50.39 29.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.6 -44.69 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -53.34 -47.0 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -62.96 -57.84 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' ALA . 12.6 mm100 -35.16 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 142' ' ' ALA . 6.6 m120 -95.73 -56.95 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.737 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -42.97 -34.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 58.5 mt -53.41 -68.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.82 -41.4 87.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 8.0 mmt -55.58 -26.71 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.07 -10.92 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 7.1 t60 -52.57 139.72 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.8 pt20 45.68 32.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 153' ' ' SER . 30.8 t80 -66.21 160.01 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 2.3 t -80.65 110.46 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -151.42 109.81 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? 58.47 42.26 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 61.97 15.6 49.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.02 171.13 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.64 83.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 152' ' ' TYR . 95.5 mt -47.87 116.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 101' ' ' ASN . 63.0 mt -93.76 117.16 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 146' ' ' ILE . 3.8 t -106.78 131.44 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -132.49 175.99 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.24 165.88 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.413 ' HG3' ' C ' ' A' ' 96' ' ' GLY . 14.2 mt-30 -83.98 159.21 60.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 166' ' ' THR . 54.2 Cg_endo -69.75 -25.21 28.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 165' ' ' PRO . 98.5 m -34.17 96.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 165' ' ' PRO . 3.4 p30 -125.95 161.91 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -98.2 33.13 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 14.9 tp 46.85 50.54 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 170' ' ' LEU . 0.3 OUTLIER -98.87 84.33 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 26.3 p -53.06 -46.43 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 9.2 m -143.64 176.1 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -156.6 66.76 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.6 36.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 24.8 t -42.29 105.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 53.5 p 46.3 42.77 10.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.448 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 m -70.99 124.44 24.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.838 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 m -144.36 174.42 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -57.53 138.67 47.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.2 p -105.15 143.58 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.808 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -64.72 163.24 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.85 117.43 3.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 pt -128.92 150.09 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.84 HD11 ' HD3' ' A' ' 165' ' ' PRO . 67.6 mt -104.59 133.08 50.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.839 ' CG1' HD21 ' A' ' 102' ' ' LEU . 18.6 t -102.71 95.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -101.13 157.33 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t30 74.07 51.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.839 HD21 ' CG1' ' A' ' 99' ' ' VAL . 82.9 mt -93.05 153.84 41.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -166.16 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -92.21 -8.7 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.3 p30 -122.53 22.93 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.57 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.8 t -58.46 138.0 56.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 46.1 m-80 -150.4 162.37 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLN . 37.8 t -62.74 -58.16 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' CYS . 35.0 mt-30 -37.66 -38.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.61 -56.76 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.409 HG11 HG21 ' A' ' 134' ' ' VAL . 43.4 t -59.94 -51.46 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.514 ' HA ' HD22 ' A' ' 120' ' ' LEU . 3.3 t-160 -41.99 -61.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.23 -38.3 82.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.3 -49.0 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.678 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 44.1 mt -98.02 41.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.92 -39.39 81.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -49.85 -36.58 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.64 166.57 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.09 119.58 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.9 mp -92.68 132.12 37.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -100.32 -42.4 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -149.38 143.04 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.24 136.27 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 114.19 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.78 129.39 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.73 89.67 3.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -50.45 -38.16 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -50.99 -56.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -97.16 12.32 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 39.26 52.91 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.8 m -139.76 135.94 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -118.08 134.16 55.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.64 118.02 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.409 HG21 HG11 ' A' ' 111' ' ' VAL . 66.9 t -118.01 130.42 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.2 m -111.2 103.22 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 142' ' ' ALA . 26.2 mt -71.87 -179.11 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 30.0 tp -73.32 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.44 165.48 14.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -72.54 -50.65 14.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 33.5 tt0 -42.44 -35.8 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.41 -37.08 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.691 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -68.1 -50.07 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 146' ' ' ILE . 35.6 mm-40 -41.6 -29.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 23.0 m-80 -93.54 -58.85 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.61 -31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 143' ' ' GLN . 62.7 mt -55.53 -69.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.7 mtt -58.98 -20.5 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.678 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 12.7 m-85 -125.67 -5.98 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -54.76 138.54 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 159' ' ' LEU . 13.5 pt20 41.45 46.58 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 153' ' ' SER . 7.4 t80 -80.03 158.68 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 19.7 t -78.27 97.12 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.03 108.66 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 52.45 28.42 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.38 -20.62 39.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -87.58 139.99 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -91.41 73.25 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.566 HD22 HD23 ' A' ' 102' ' ' LEU . 26.6 mt -36.98 139.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 32.4 mm -110.21 121.19 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.12 126.31 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -140.52 166.82 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.76 157.13 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -62.02 154.76 67.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.84 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.74 -9.05 25.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' PRO . 27.6 m -34.54 115.95 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -117.91 123.92 47.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -158.56 119.14 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 13.9 mt -140.4 129.25 23.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 15.9 tp -106.8 106.06 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.7 t -121.35 -57.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 75.5 m -122.37 123.73 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 178.95 -174.34 46.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -27.46 26.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 49.1 m -40.64 116.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.0 m -171.1 163.73 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 t -54.6 157.93 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.3 m -92.51 -58.54 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.05 -129.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -155.86 123.16 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.6 p -72.3 161.92 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.446 ' CA ' ' OE1' ' A' ' 164' ' ' GLN . . . 100.02 122.32 4.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.61 150.43 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD2' ' CD2' ' A' ' 133' ' ' PHE . 53.2 mt -106.19 140.04 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.771 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.5 t -108.16 85.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.81 178.29 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.4 t30 61.23 45.35 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.752 HD21 ' CG1' ' A' ' 99' ' ' VAL . 72.5 mt -88.36 152.23 49.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -92.66 -16.1 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 2.7 m-20 -120.72 33.79 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.526 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.6 t -64.07 150.41 45.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 3.3 m-80 -156.83 158.53 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 16.7 t -67.66 -63.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 20.6 tt0 -34.38 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER -67.49 -57.42 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 96.2 t -64.17 -53.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 111' ' ' VAL . 6.9 t60 -34.47 -52.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -41.64 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . 9.9 tp -54.87 -45.37 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.54 48.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -71.05 -39.75 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.87 -46.22 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 11.8 m-85 -85.03 148.83 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.34 122.62 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.16 148.81 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -121.63 -37.38 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -153.31 124.76 7.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 t -120.29 121.42 38.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -134.29 107.23 7.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.3 127.71 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.5 t0 -118.25 90.07 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 128' ' ' ASN . 25.6 ptt180 -58.15 -44.28 87.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 127' ' ' ARG . 38.4 t30 -53.58 -38.53 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 130' ' ' ARG . 23.5 mttt -110.42 11.75 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' ASP . 32.3 mtp180 36.29 54.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 94.4 m -145.46 122.87 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -105.87 120.34 41.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 51.7 m-85 -86.27 114.75 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -120.29 109.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.9 m -86.4 107.24 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.7 mt -74.21 172.63 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.19 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.38 165.36 12.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -65.33 -57.94 10.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 139' ' ' GLY . 8.6 tm-20 -35.48 -49.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -52.24 -44.44 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.18 -59.66 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 139' ' ' GLY . 1.1 mp0 -35.41 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.3 m-80 -95.79 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -37.63 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 144' ' ' ASN . 72.0 mt -62.79 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.93 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 35.1 mmt -51.56 -39.07 57.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.5 -16.32 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -50.22 132.86 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 62.01 39.54 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 1.6 t -75.38 120.07 20.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -152.53 109.48 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 52.98 26.57 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 89.49 -16.19 56.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -93.31 156.17 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' LEU . 19.5 m-20 -98.89 80.26 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 158' ' ' ASP . 41.8 mt -35.44 132.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.9 mm -107.02 104.13 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -93.3 129.81 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -140.15 -179.37 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 163' ' ' LEU . 2.3 mm? -77.29 164.96 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.446 ' OE1' ' CA ' ' A' ' 96' ' ' GLY . 26.9 mt-30 -106.36 158.94 31.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.84 15.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 55.7 m -135.31 119.33 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.09 100.8 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.92 179.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 169' ' ' LEU . 3.3 pp -115.79 114.37 24.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 68.7 mt 38.7 38.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.3 t -143.33 106.95 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 5.4 t -136.74 134.57 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 41.83 69.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.53 25.73 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 78.0 p -69.15 167.78 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.3 t -55.6 -57.61 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.0 p -109.86 42.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.9 p -91.98 101.95 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.01 101.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 m -71.58 84.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.7 p -91.03 112.7 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.66 141.67 3.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 pt -137.83 153.39 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -107.87 132.53 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.751 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.0 t -104.24 92.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -102.51 162.16 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.2 t30 70.9 51.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.751 HD21 ' CG1' ' A' ' 99' ' ' VAL . 71.9 mt -91.9 155.0 43.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -166.96 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.98 -31.06 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.48 29.75 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.533 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.9 t -63.04 140.73 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -149.42 172.98 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 11.0 t -71.96 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 27.0 mm-40 -38.18 -39.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 5.9 mp0 -64.08 -48.57 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.34 -42.49 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.465 ' CD2' HD22 ' A' ' 120' ' ' LEU . 4.4 m170 -47.08 -63.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.69 -42.65 64.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.2 tp -57.07 -52.18 66.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.473 ' O ' HD11 ' A' ' 120' ' ' LEU . 28.0 mt -94.31 44.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -66.26 -45.87 79.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.54 -51.0 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 33.7 m-85 -82.33 174.84 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -110.78 104.72 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 120' ' ' LEU . 4.6 mp -74.19 130.35 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -102.29 -45.69 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -136.17 119.83 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.57 112.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -125.3 105.88 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.88 125.65 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.94 89.67 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -57.64 -42.1 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -46.84 -43.01 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -113.63 14.43 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 28.7 mtm-85 39.24 51.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -138.66 125.33 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -114.18 115.48 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -83.06 117.63 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.34 117.56 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -95.24 113.73 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.8 mt -81.1 169.13 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.84 -62.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -117.57 176.01 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.63 -50.52 6.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -44.85 -48.1 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -51.02 -41.3 59.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -69.87 -55.38 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 96.1 mm-40 -34.93 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 142' ' ' ALA . 61.5 m-80 -94.5 -58.72 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.01 -39.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 150' ' ' HIS . 43.5 mt -50.94 -67.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -65.08 -50.5 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 6.9 mmt -45.74 -39.54 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -96.91 -21.93 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 146' ' ' ILE . 11.2 t-160 -48.75 132.38 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 59.35 46.08 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.52 ' HD2' HD12 ' A' ' 159' ' ' LEU . 47.2 t80 -92.57 148.47 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.411 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 31.8 t -74.59 120.43 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -156.04 116.82 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 55.14 28.21 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.76 -19.68 23.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -90.66 170.76 9.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -112.9 94.19 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 152' ' ' TYR . 65.6 mt -50.09 119.46 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 77.6 mt -94.9 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 132.31 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.83 174.5 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 20.3 tp -98.59 155.26 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.421 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 56.5 mt-30 -78.33 143.85 65.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 167' ' ' ASP . 54.0 Cg_endo -69.76 -8.07 22.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.1 m -39.03 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 165' ' ' PRO . 0.6 OUTLIER -131.99 96.18 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -48.12 154.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 169' ' ' LEU . 2.8 tt -82.87 -24.95 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.94 173.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 3.2 t -139.39 128.43 23.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.2 t -42.34 -48.41 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 73.17 145.75 0.74 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -114.97 169.27 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 44.6 m -153.97 146.72 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.1 p -42.46 156.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.3 p -63.05 145.31 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.13 112.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -92.76 114.46 27.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.7 p -75.45 144.86 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.55 149.14 8.4 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.438 HG22 HG12 ' A' ' 146' ' ' ILE . 32.2 pt -149.45 153.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.618 HD21 ' HG2' ' A' ' 164' ' ' GLN . 66.5 mt -106.98 131.08 54.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 24.0 t -106.43 87.92 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -96.7 160.19 14.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.1 t30 73.77 47.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' CG1' ' A' ' 99' ' ' VAL . 38.4 mt -91.51 156.6 43.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -95.09 -26.91 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -108.1 30.19 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 5.6 t -62.39 158.16 18.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 106' ' ' SER . 25.1 m120 -162.37 158.46 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.71 -56.92 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.16 -37.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.71 -46.68 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.1 -37.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -49.17 -60.44 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -44.53 65.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.0 tp -55.25 -46.51 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.95 45.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 -30.01 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 -39.24 75.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.3 m-85 -100.65 159.45 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.97 116.87 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.82 126.18 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -92.81 -55.45 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -133.02 136.13 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -133.36 129.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -136.53 106.53 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.91 127.84 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -119.75 89.95 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -55.83 -41.8 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -47.33 -43.78 23.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -110.4 14.17 22.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 39.97 50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -141.66 133.61 27.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.76 43.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.85 121.5 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.03 126.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 65.1 m -105.03 103.21 12.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -71.75 177.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.81 -61.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -123.54 177.37 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -77.57 -57.24 3.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.8 mt-10 -37.16 -41.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -63.04 -44.1 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.87 -51.69 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 24.8 mm-40 -35.95 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 142' ' ' ALA . 45.1 m-80 -96.97 -58.61 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.41 -27.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 97' ' ' ILE . 38.2 mt -61.86 -66.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.83 -49.66 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 80.2 mmm -41.43 -40.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.64 -30.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -39.7 126.93 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 68.89 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 153' ' ' SER . 56.5 t80 -92.76 148.1 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.53 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 15.7 t -77.39 120.54 22.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -149.79 119.65 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 49.75 26.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 92.62 -24.38 23.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -90.14 151.49 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -93.39 99.01 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 75.8 mt -55.81 121.09 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 96.7 mt -96.0 102.56 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.1 t -95.39 123.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -134.93 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 49.3 tp -94.85 162.65 13.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.618 ' HG2' HD21 ' A' ' 98' ' ' LEU . 76.8 mt-30 -109.46 142.45 25.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.715 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 166' ' ' THR . 11.9 m -127.97 39.68 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.29 -57.51 7.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -135.15 145.87 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 170' ' ' LEU . 7.4 tt -79.23 114.8 18.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 169' ' ' LEU . 6.7 mp -41.93 128.95 3.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 t -137.89 111.92 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.3 t -75.13 -59.63 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 73.66 82.39 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 171.82 13.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.9 t -122.13 44.34 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.0 t -151.92 122.18 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -98.82 117.19 32.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -50.36 -54.41 21.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.08 -105.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -155.33 132.74 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.8 p -106.2 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.14 146.04 12.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.4 pt -146.11 152.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.6 mt -104.61 125.47 50.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.753 ' CG1' HD21 ' A' ' 102' ' ' LEU . 15.6 t -103.4 86.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -94.8 163.97 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.581 ' HB2' HD13 ' A' ' 160' ' ' ILE . 13.9 t-20 74.32 37.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.753 HD21 ' CG1' ' A' ' 99' ' ' VAL . 59.9 mt -81.61 149.42 64.37 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -95.24 -16.32 22.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.19 31.45 6.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.546 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.9 t -73.89 152.57 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.83 162.33 32.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.09 -40.85 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -51.26 -34.13 31.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.45 -53.3 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.31 -54.49 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -39.66 -52.45 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -57.48 -47.17 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.6 tp -52.55 -45.77 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.84 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -2.31 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.67 -28.88 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 14.3 m-85 -104.98 154.27 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.04 128.03 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.18 117.51 34.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -91.08 -45.0 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -151.44 135.27 16.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.42 124.87 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.22 105.99 9.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.64 132.26 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -118.64 93.29 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -27.64 69.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -56.94 -51.49 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -107.12 5.36 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 54.58 49.65 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 92.6 m -137.83 124.41 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -115.8 130.61 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -98.69 112.54 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.46 115.04 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 87.9 m -96.02 115.82 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' A' ' 142' ' ' ALA . 23.2 mt -89.28 -179.17 5.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.14 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -105.61 161.28 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.96 -37.58 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -58.47 -40.56 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.711 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.62 -53.45 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 142' ' ' ALA . 34.3 mm-40 -37.03 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' ALA . 42.1 m-80 -97.48 -50.5 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -46.56 -22.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 150' ' ' HIS . 65.7 mt -80.7 -72.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -51.97 -28.66 17.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 23.6 mmm -68.72 -42.92 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -114.29 26.43 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 146' ' ' ILE . 10.0 t60 -79.76 118.98 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 64.96 45.41 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 153' ' ' SER . 17.9 t80 -84.13 153.23 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.423 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 40.9 t -78.78 112.85 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -132.76 105.5 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 52.57 33.04 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 93.87 -22.89 33.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ASP . . . . . 0.641 ' O ' HD12 ' A' ' 160' ' ' ILE . 22.8 m-20 -87.69 75.75 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' ASP . 90.6 mt -35.32 120.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 158' ' ' ASP . 3.8 mp -98.98 100.4 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.94 126.63 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -137.37 -179.2 5.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.37 164.38 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -85.77 155.76 58.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.698 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 95.03 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.1 m -136.14 126.49 26.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.78 -56.36 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . 48.31 47.0 20.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.74 129.76 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 25.2 mt -84.38 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 172' ' ' SER . 30.8 p -89.5 106.41 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' CYS . 6.7 t -36.25 -50.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 154.0 178.65 28.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.39 64.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 30.4 t -41.52 -50.49 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.6 m -89.33 169.65 11.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.7 m -96.31 117.67 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.2 t -63.22 127.79 32.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.1 64.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.7 p -93.48 89.39 6.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 p -92.85 131.91 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.84 121.38 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 146' ' ' ILE . 21.1 pt -123.61 158.7 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.6 mt -109.78 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.658 ' CG1' HD21 ' A' ' 102' ' ' LEU . 22.4 t -104.96 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -103.71 159.93 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.817 ' HB2' HD12 ' A' ' 160' ' ' ILE . 35.2 t30 73.09 46.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 ' CG1' ' A' ' 99' ' ' VAL . 52.8 mt -89.48 156.23 48.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.96 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -88.78 -9.83 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 30.34 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.515 ' OG ' HD22 ' A' ' 102' ' ' LEU . 5.2 t -68.55 142.98 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -157.69 163.61 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.8 m -56.92 -60.51 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 108' ' ' CYS . 62.4 tt0 -34.41 -43.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.63 -47.04 80.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 108' ' ' CYS . 80.5 t -72.05 -57.94 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 3.1 t-160 -36.15 -63.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.42 -48.35 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 tp -50.83 -43.61 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.652 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 38.5 mt -95.17 41.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -65.4 -32.94 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 13.4 m-85 -90.99 163.61 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.73 131.32 36.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 112' ' ' HIS . 7.3 mp -102.51 128.05 49.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 1.3 mptp? -97.16 -34.21 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -159.51 138.17 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.3 t -131.46 110.05 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -117.99 113.07 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 108' ' ' CYS . 95.7 t -98.64 129.61 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.57 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -59.92 -30.11 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.88 -33.49 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 130' ' ' ARG . 24.0 mttm -119.54 14.65 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 129' ' ' LYS . 33.6 mmt180 37.51 51.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.1 m -143.77 140.71 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.19 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -96.95 122.72 40.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.72 124.24 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.7 m -101.33 99.84 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.93 177.89 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.28 -64.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -117.32 170.58 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.33 -50.49 9.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.24 -47.75 84.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -62.62 -49.93 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 142' ' ' ALA . 15.3 mm100 -37.12 -43.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -89.07 -51.28 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -47.07 -20.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 161' ' ' VAL . 22.4 mt -83.47 -57.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 0.1 OUTLIER -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.0 mmt -75.31 -56.57 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -66.74 -50.11 63.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 149' ' ' PHE . 13.8 t60 -34.1 131.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.432 ' HG2' ' CG ' ' A' ' 150' ' ' HIS . 8.6 mm100 69.44 37.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.4 t80 -94.0 144.8 25.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 24.6 t -76.58 106.45 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -134.28 104.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 57.58 27.37 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.1 -19.23 43.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -91.12 136.48 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -87.42 89.93 8.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 102' ' ' LEU . 90.2 mt -47.39 133.03 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 101' ' ' ASN . 55.7 mt -106.04 103.97 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 146' ' ' ILE . 21.9 t -98.77 124.11 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.54 158.78 43.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.8 tp -84.28 138.16 33.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.31 155.17 0.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.0 m -164.83 108.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -61.38 119.3 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -124.45 78.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 169' ' ' LEU . 2.7 pt? -171.19 143.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.3 147.77 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 39.4 t -72.06 -45.68 59.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 5.5 m -120.71 100.67 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -167.11 -93.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.41 50.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.6 m -132.1 -59.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 81.0 p 43.05 42.33 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 p -73.93 -54.68 7.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 t -53.85 122.76 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.8 125.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 m -86.77 85.59 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 99.5 p -89.57 122.25 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.2 148.68 4.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -143.0 157.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.87 125.69 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -97.19 97.45 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -104.9 159.17 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.8 t30 74.82 46.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 HG11 ' A' ' 99' ' ' VAL . 48.7 mt -86.39 156.28 56.73 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -89.85 -30.1 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.06 36.57 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.523 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.1 t -69.51 149.73 47.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -155.4 169.5 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 52.7 t -73.64 -61.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 26.9 mt-30 -34.43 -47.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.02 -50.15 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' CYS . 88.2 t -61.62 -44.68 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -42.63 -62.52 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.63 -45.97 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.18 -45.38 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 mt -95.37 36.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.2 ptpp? -59.24 -44.51 92.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 6.2 m-20 -47.66 -45.17 27.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -93.27 144.91 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.08 123.63 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.67 135.07 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -107.95 -39.65 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -151.64 130.23 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.41 129.04 44.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -129.47 113.76 15.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.41 126.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.56 90.9 3.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.44 -29.86 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.494 ' ND2' ' HG3' ' A' ' 129' ' ' LYS . 6.3 p-10 -56.9 -44.3 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG3' ' ND2' ' A' ' 128' ' ' ASN . 46.0 mttt -112.19 14.27 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 42.21 53.45 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.7 m -140.49 141.25 35.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.12 120.09 30.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.35 115.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.07 128.47 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.5 m -105.97 102.07 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 142' ' ' ALA . 54.0 mt -75.13 175.08 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -114.75 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.87 -52.34 20.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -39.84 -43.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -56.72 -43.64 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.757 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.53 -51.52 49.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 146' ' ' ILE . 53.9 mm-40 -34.99 -36.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.5 m-80 -90.63 -60.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 143' ' ' GLN . 57.5 mt -50.31 -67.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -68.1 -46.55 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.4 mmm -44.37 -41.29 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' A' ' 161' ' ' VAL . 3.3 m-85 -92.84 -35.67 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -38.6 125.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.418 ' HB3' HE21 ' A' ' 151' ' ' GLN . 2.9 mm100 68.15 42.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 153' ' ' SER . 47.8 t80 -87.88 164.28 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 40.8 t -91.19 109.16 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -153.11 105.89 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 64.02 36.53 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 60.78 23.93 61.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -116.28 169.49 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -110.03 73.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 152' ' ' TYR . 34.3 mt -40.06 119.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 72.7 mt -100.25 104.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 149' ' ' PHE . 12.1 t -95.88 129.38 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -131.94 167.61 19.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.452 ' HB2' HD11 ' A' ' 146' ' ' ILE . 5.9 tp -99.78 147.27 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 17.0 mt-30 -65.02 154.1 87.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.25 37.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 169' ' ' LEU . 45.5 m -76.07 92.39 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.78 -50.46 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -122.43 124.59 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 171' ' ' CYS . 17.9 tp -150.37 139.77 21.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 43.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.453 ' HB2' HD23 ' A' ' 169' ' ' LEU . 4.9 t -71.58 -58.08 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 33.1 p -125.53 155.95 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 139.71 -163.39 26.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -9.54 26.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.7 p -82.93 113.93 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 65.7 m -95.67 120.27 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -51.97 131.96 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -153.95 107.23 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.16 151.27 41.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.556 ' O ' HD11 ' A' ' 163' ' ' LEU . 9.3 m -153.98 119.89 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.6 p -85.1 146.8 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.94 142.83 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 pt -138.34 161.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.77 130.99 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.832 ' CG1' HD21 ' A' ' 102' ' ' LEU . 19.1 t -104.57 91.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.28 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.619 ' O ' HD23 ' A' ' 159' ' ' LEU . 28.4 t30 71.11 48.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.832 HD21 ' CG1' ' A' ' 99' ' ' VAL . 80.9 mt -82.53 155.36 68.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.8 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.96 -26.05 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.9 p-10 -117.11 39.0 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.559 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.2 t -65.0 143.7 57.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 6.3 m-80 -153.0 156.78 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' VAL . 48.5 t -59.0 -62.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' CYS . 28.1 mm-40 -34.99 -42.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.77 -48.17 81.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' CYS . 82.2 t -71.34 -53.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.75 -56.99 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -61.97 -46.34 89.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.99 -39.93 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 22.4 mt -98.66 46.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -69.04 -32.13 71.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -58.64 -42.52 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 15.1 m-85 -95.34 149.04 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.53 121.26 25.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -94.91 163.48 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -133.52 -44.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.15 130.21 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -129.81 102.73 6.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.79 125.44 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.9 t70 -119.23 90.55 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -59.44 -43.01 93.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.17 -43.57 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -109.52 2.22 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 126' ' ' ASP . 50.7 mtm-85 50.99 51.76 16.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 93.5 m -142.17 126.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.0 119.52 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -88.34 117.11 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.1 t -111.04 137.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 m -113.58 102.34 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.827 HD12 ' HB2' ' A' ' 142' ' ' ALA . 76.0 mt -74.02 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -72.07 -50.1 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -136.15 168.15 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -70.58 -53.67 12.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -38.05 -45.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.324 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.79 -43.73 90.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.827 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.68 -50.6 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 146' ' ' ILE . 33.5 mm-40 -35.19 -40.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -86.31 -58.42 2.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -39.98 -36.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 163' ' ' LEU . 36.7 mt -48.03 -64.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -71.0 -48.67 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 2.8 mtt -47.66 -31.13 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.521 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -105.28 -26.01 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 16.7 t60 -42.01 135.43 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.1 pt20 48.37 35.94 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.9 t80 -69.49 156.34 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.46 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 1.7 t -76.91 105.86 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 159' ' ' LEU . 22.2 t80 -144.78 105.66 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.423 ' NH2' ' OD2' ' A' ' 105' ' ' ASP . 31.0 mtt-85 56.2 35.78 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.83 70.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -114.45 144.66 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.312 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -91.65 64.9 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 101' ' ' ASN . 79.1 mt -38.93 122.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 78.4 mt -93.14 101.76 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.9 t -96.95 130.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -138.66 174.81 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.1 tp -102.73 147.34 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.411 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 63.9 mt-30 -60.45 143.9 89.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.96 32.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 20.5 m -152.85 122.92 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -103.92 -44.14 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -173.67 175.23 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 15.3 tp -40.28 147.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 17.3 tp -107.07 95.17 5.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 31.3 p -107.77 167.77 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.1 t -83.62 169.6 15.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 83.28 79.67 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 2.04 3.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 7.8 t 71.18 42.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.1 t -52.49 -50.18 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.0 p -107.41 103.41 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -99.7 170.82 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.39 -121.28 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 p -116.81 131.16 57.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.8 p -173.94 171.48 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.58 160.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.533 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 28.1 pt -142.09 158.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.601 HD11 ' HD3' ' A' ' 165' ' ' PRO . 39.7 mt -106.69 125.31 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 99' ' ' VAL . 34.5 t -97.4 87.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -96.19 163.25 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 72.59 42.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.642 HD22 ' OG ' ' A' ' 106' ' ' SER . 40.9 mt -87.78 157.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -81.65 -35.8 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.489 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 14.6 t70 -104.16 32.92 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.642 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.3 t -66.24 152.1 45.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 4.3 m-80 -158.22 166.33 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.591 ' N ' HG21 ' A' ' 125' ' ' VAL . 10.4 t -62.82 -60.12 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 39.6 tp60 -34.78 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.63 -48.65 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' CYS . 98.6 t -68.11 -53.47 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.2 t-160 -39.43 -61.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.5 -39.96 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.64 -45.15 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.646 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 37.4 mt -101.87 39.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -62.34 -48.14 81.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -39.39 -47.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -87.82 154.54 20.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.64 129.48 34.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 115' ' ' LEU . 8.3 mp -107.0 117.69 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -89.72 -48.17 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -147.29 146.93 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.75 129.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -124.07 102.68 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.591 HG21 ' N ' ' A' ' 108' ' ' CYS . 91.9 t -88.6 125.63 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -119.41 90.01 3.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -51.44 -46.7 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.7 -45.28 28.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 130' ' ' ARG . 21.3 mmtp -103.98 15.06 29.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER 33.62 54.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.9 m -146.44 141.74 27.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.02 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.67 113.89 26.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.4 t -106.58 134.1 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.3 m -109.25 104.78 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 142' ' ' ALA . 74.3 mt -82.01 177.85 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.47 -51.44 43.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -140.03 178.57 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.01 -53.63 5.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' GLY . 18.3 mt-10 -36.13 -38.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -68.68 -46.14 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.582 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.36 -52.48 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 9.0 mm100 -34.98 -32.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.8 m-80 -92.4 -62.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -37.01 -38.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.466 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 47.5 mt -50.36 -65.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.24 -54.0 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 14.5 mtt -42.66 -38.8 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.646 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 6.0 m-85 -95.86 -26.99 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 151' ' ' GLN . 15.5 t60 -45.16 126.85 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.555 ' HG2' ' CE1' ' A' ' 150' ' ' HIS . 6.9 mm100 66.93 43.05 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.487 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.9 t80 -86.72 160.54 18.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.487 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.7 t -86.95 109.94 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -151.93 112.31 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 54.8 42.7 30.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.03 55.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -122.89 157.32 32.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -104.71 79.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 102' ' ' LEU . 92.1 mt -46.32 125.41 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 88.4 mt -103.33 111.01 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 10.4 t -99.32 129.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -135.03 176.66 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.8 mt -81.36 164.42 22.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.43 148.12 73.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.601 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 2.12 3.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 165' ' ' PRO . 34.9 m -34.09 -53.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.0 133.37 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -115.34 108.17 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.483 HD12 ' C ' ' A' ' 169' ' ' LEU . 4.6 pp -78.46 171.7 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.5 mt -101.87 116.73 33.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.32 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 72.1 m -57.3 -58.93 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.57 4.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.2 22.99 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 19.3 m -44.75 158.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 13.6 t -162.92 156.77 20.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 t -123.0 114.16 20.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -92.52 154.38 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.38 83.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 95' ' ' SER . 21.7 m -129.29 82.05 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' SER . 74.2 p 35.56 44.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . -161.87 140.12 6.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.0 pt -125.87 160.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.178 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' NE2' ' A' ' 164' ' ' GLN . 95.2 mt -106.06 134.5 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.666 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 15.6 t -101.64 93.84 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -107.72 161.3 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.634 ' HB2' HD12 ' A' ' 160' ' ' ILE . 6.1 t-20 71.8 43.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.617 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -84.0 156.36 63.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.9 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.361 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.1 pm0 -87.56 -29.87 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.9 m-20 -108.81 32.47 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.617 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.3 t -63.7 147.18 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 37.2 m-80 -160.54 162.73 33.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.461 ' N ' HG21 ' A' ' 125' ' ' VAL . 47.9 t -60.93 -56.77 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -38.4 -39.18 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.15 -48.08 66.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -66.27 -54.25 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -39.52 -60.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -56.41 -38.83 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.54 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 149' ' ' PHE . 78.1 mt -91.27 45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -66.29 -36.55 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 116' ' ' LYS . 22.7 m-20 -52.81 -44.98 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.95 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 4.9 m-85 -94.98 160.15 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.22 108.11 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.94 122.31 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -89.46 -34.85 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -160.92 139.7 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.77 129.51 38.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -133.52 103.2 5.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.9 t -88.38 130.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -114.76 114.81 26.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER -83.96 23.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.418 ' HA ' ' NH2' ' A' ' 127' ' ' ARG . 31.4 t30 -98.69 -54.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -117.02 10.63 14.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 62.6 43.04 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.9 m -123.32 133.83 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.666 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -124.05 125.4 44.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.32 117.35 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.21 129.88 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 90.6 m -108.68 116.36 31.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.894 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.8 mt -85.96 177.62 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.9 -58.15 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.55 152.25 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.87 54.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -45.23 -44.79 11.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.356 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.7 -40.78 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.894 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.19 -54.08 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 146' ' ' ILE . 79.5 mm-40 -35.46 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -85.44 -60.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.95 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.36 -45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 163' ' ' LEU . 47.0 mt -42.77 -63.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -68.93 -57.36 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.7 mmt -41.24 -33.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 152' ' ' TYR . 11.7 m-85 -104.28 -22.43 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 146' ' ' ILE . 13.4 t60 -42.99 148.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 150' ' ' HIS . 1.7 pp0? 32.74 42.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.557 ' CE2' ' O ' ' A' ' 153' ' ' SER . 10.5 t80 -76.59 161.51 28.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.557 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 9.3 t -77.32 106.04 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.485 ' CG ' HD11 ' A' ' 159' ' ' LEU . 64.6 t80 -148.97 122.67 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 46.82 45.73 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 54.41 27.22 40.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -126.88 173.35 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 77.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.485 HD11 ' CG ' ' A' ' 154' ' ' PHE . 56.2 mt -44.19 129.62 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 101' ' ' ASN . 83.6 mt -101.0 113.56 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 146' ' ' ILE . 21.3 t -102.26 130.03 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -134.38 179.0 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 146' ' ' ILE . 3.8 mm? -81.06 166.8 20.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.527 ' NE2' HD23 ' A' ' 98' ' ' LEU . 15.8 mm-40 -101.05 138.25 19.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.19 63.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.5 m -73.53 136.13 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.7 161.12 24.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -135.19 146.64 48.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 3.8 tt -109.08 79.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.26 109.31 20.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 82.6 m -122.97 142.68 50.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 76.6 p -87.79 -52.59 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -101.79 146.16 17.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 108.52 2.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.0 m -83.25 108.32 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 80.0 p -136.3 124.96 23.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.1 t -162.37 168.99 21.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -96.81 106.59 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.85 -162.63 19.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 p -101.81 77.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -105.32 170.03 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.47 136.74 8.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 pt -135.16 154.82 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.54 128.79 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.564 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -99.81 96.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -105.06 160.67 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.9 t30 72.34 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.766 HD22 ' OG ' ' A' ' 106' ' ' SER . 58.0 mt -90.33 155.84 46.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -163.32 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -86.41 -35.44 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.0 m-20 -107.29 36.05 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.766 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.7 t -68.74 138.95 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 5.7 m-80 -154.63 168.46 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.8 m -66.94 -55.3 15.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.2 mm-40 -34.23 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' CYS . 5.8 tp10 -81.44 -57.19 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.5 t -47.9 -48.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.504 ' ND1' HD22 ' A' ' 120' ' ' LEU . 3.2 t60 -44.13 -63.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -50.07 -44.12 51.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 63.2 tp -57.49 -47.36 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.612 ' O ' HD11 ' A' ' 120' ' ' LEU . 29.4 mt -98.52 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 17.8 ptmt -66.48 -46.41 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 9.4 m-20 -44.58 -46.0 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 20.3 m-85 -86.71 163.61 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -89.74 126.43 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.612 HD11 ' O ' ' A' ' 115' ' ' LEU . 6.9 mp -100.13 127.83 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.609 ' HD3' HG22 ' A' ' 135' ' ' THR . 6.5 mtpm? -102.14 -47.86 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -148.28 140.16 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.11 128.42 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -130.61 105.46 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' SG ' ' A' ' 108' ' ' CYS . 94.9 t -83.75 128.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.15 97.2 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 9.1 mmp_? -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -45.69 -43.64 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -112.61 14.1 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 39.57 54.79 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.9 m -144.88 140.0 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.91 123.28 40.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.67 118.1 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.55 127.97 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.609 HG22 ' HD3' ' A' ' 121' ' ' LYS . 92.9 m -104.09 117.58 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 142' ' ' ALA . 98.2 mt -88.72 173.63 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.45 -68.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -115.31 164.38 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -64.6 -56.81 14.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 139' ' ' GLY . 15.9 tt0 -34.87 -49.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.61 -47.16 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.69 -52.12 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 142' ' ' ALA . 1.8 mp0 -34.79 -40.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 146' ' ' ILE . 13.8 m-80 -89.41 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.24 -26.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 144' ' ' ASN . 56.9 mt -61.81 -72.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.31 -41.5 89.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 148' ' ' MET . 0.9 OUTLIER -48.49 -41.93 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.11 -25.94 15.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -41.27 128.38 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 62.63 47.33 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 153' ' ' SER . 49.9 t80 -93.04 154.83 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.556 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.1 t -73.15 117.56 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 159' ' ' LEU . 10.6 t80 -151.98 107.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 51.89 35.04 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.86 -14.42 31.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -94.23 157.14 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.16 90.53 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 154' ' ' PHE . 88.8 mt -46.97 124.19 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.8 mm -99.69 107.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.23 129.0 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -129.45 164.05 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 18.9 tp -87.66 156.31 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.483 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 15.2 mm-40 -88.95 141.16 29.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.615 2.21 . . . . 0.0 112.362 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.6 m -55.96 123.17 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -114.52 -52.06 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -146.34 136.65 23.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.28 -23.52 65.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.8 114.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.6 m -111.93 79.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 45.9 m -142.97 132.26 23.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 126.91 -158.49 20.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 105.4 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 39.8 t -41.07 -62.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 8.6 t -61.43 110.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m 62.31 40.26 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.813 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 m -108.83 124.35 50.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.445 ' HA3' ' NE2' ' A' ' 143' ' ' GLN . . . 68.04 95.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' SER . 13.3 m -54.82 118.59 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.804 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' SER . 90.4 p -38.07 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.36 154.91 29.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.8 pt -151.26 156.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.96 HD11 ' HD3' ' A' ' 165' ' ' PRO . 59.1 mt -103.86 126.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.624 ' O ' HG12 ' A' ' 99' ' ' VAL . 12.2 t -102.27 90.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 160' ' ' ILE . 20.6 t30 72.52 51.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.461 HD21 HG11 ' A' ' 99' ' ' VAL . 33.5 mt -90.06 157.69 45.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -90.78 -32.24 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.23 33.38 3.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.536 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 33.4 t -62.89 148.61 46.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 106' ' ' SER . 24.9 m120 -160.73 162.42 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.22 -55.44 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -40.73 -41.05 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.4 -47.86 77.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.12 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -40.63 -67.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.5 -46.24 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' CD1' ' CE2' ' A' ' 152' ' ' TYR . 51.4 tp -51.72 -48.76 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.844 HD23 ' CE2' ' A' ' 149' ' ' PHE . 40.0 mt -99.42 28.65 4.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -51.23 -45.39 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -44.73 -44.37 9.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.6 m-85 -94.52 165.08 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.64 128.51 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.45 122.68 44.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -94.86 -40.61 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -148.31 138.33 22.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 8.0 p -137.52 125.8 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -127.85 98.94 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.97 128.33 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.95 110.86 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -73.69 -44.34 56.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -49.42 -41.61 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -113.45 14.72 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' LYS . 61.5 mtm-85 35.9 54.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.1 m -137.92 137.17 37.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.3 118.74 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.69 115.79 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.87 137.4 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.7 m -112.98 101.7 9.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 142' ' ' ALA . 88.1 mt -72.62 -179.22 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 24.0 tp -80.46 -59.48 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -117.57 152.12 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.14 -51.62 55.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 36.4 tt0 -42.35 -43.06 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -58.63 -42.15 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.709 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -63.93 -56.43 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 146' ' ' ILE . 2.0 mp0 -35.74 -38.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 32.3 m-80 -87.23 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -36.57 -44.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 143' ' ' GLN . 20.4 mt -47.27 -54.89 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 148' ' ' MET . 4.1 tt0 -71.37 -62.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 147' ' ' GLN . 6.9 mmm -38.2 -35.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.844 ' CE2' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -92.66 -39.47 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.3 t60 -38.43 131.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.585 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 32.5 mt-30 63.63 42.97 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 153' ' ' SER . 19.5 t80 -89.73 155.42 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 15.3 t -84.82 110.4 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -149.67 108.12 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 63.98 36.49 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 64.32 18.56 63.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -115.77 173.15 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.47 84.07 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.409 HD21 HD23 ' A' ' 102' ' ' LEU . 69.1 mt -48.4 131.86 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.8 mt -107.2 101.23 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.5 t -96.35 124.02 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.93 171.62 14.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.9 mt -75.01 166.67 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -83.14 144.42 47.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.96 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.73 -3.33 11.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.345 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -46.53 -50.93 16.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -127.75 124.6 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -96.46 91.07 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 28.0 tp -42.22 142.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 12.6 tp -105.97 135.19 47.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.94 115.66 19.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 40.0 t -133.49 83.73 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 64.41 86.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.34 69.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.8 m -130.88 117.78 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 6.6 t -129.13 150.37 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.6 t -71.63 128.54 36.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.2 m -57.14 92.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.36 143.51 4.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 m -134.78 115.4 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.4 p -54.68 167.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.61 130.47 6.97 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.437 HD12 ' CG1' ' A' ' 161' ' ' VAL . 39.4 pt -139.26 152.93 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 164' ' ' GLN . 22.8 mt -108.85 133.49 52.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 20.7 t -105.77 88.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -89.74 162.61 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.0 t30 72.97 49.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 99' ' ' VAL . 38.6 mt -97.43 157.34 34.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.18 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -94.76 -22.47 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.3 34.72 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -66.85 150.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -156.99 161.68 39.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.21 -50.26 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -38.45 -32.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 154' ' ' PHE . 4.1 tp10 -80.55 -51.71 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' HIS . 95.3 t -60.84 -55.04 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.2 t60 -34.61 -49.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.22 -48.39 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 111' ' ' VAL . 21.5 tp -50.34 -53.15 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -93.73 30.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -52.98 -44.95 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -51.52 -48.52 62.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 14.1 m-85 -84.55 148.83 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -76.54 142.12 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.77 116.83 30.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -89.65 -35.3 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -158.11 137.41 11.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.9 p -139.87 128.97 23.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.99 111.75 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.2 t -98.39 127.96 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.84 89.1 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.28 -24.61 29.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' ARG . 51.1 mttt -117.07 17.51 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' LYS . 3.4 mpt_? 33.43 54.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.5 m -149.69 128.13 12.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.8 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.78 117.37 30.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.92 137.88 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.3 m -116.94 101.58 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 142' ' ' ALA . 73.4 mt -75.1 -179.35 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.55 -67.54 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -124.25 179.54 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.66 -52.28 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -39.33 -39.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -67.39 -45.28 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.67 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.25 -50.13 64.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' ' 146' ' ' ILE . 8.1 mm100 -37.22 -33.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 142' ' ' ALA . 47.9 m-80 -92.77 -59.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -40.41 -42.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.547 HG22 ' OE1' ' A' ' 147' ' ' GLN . 19.3 mt -44.74 -61.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.547 ' OE1' HG22 ' A' ' 146' ' ' ILE . 3.1 mp0 -71.26 -49.29 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.8 mmt -50.09 -20.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -122.38 -10.98 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 5.6 t60 -51.08 139.05 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 9.3 pt20 43.96 51.95 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 153' ' ' SER . 11.0 t80 -86.05 159.04 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.574 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 10.5 t -74.44 107.62 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.617 ' CD1' HD11 ' A' ' 159' ' ' LEU . 22.3 t80 -133.53 102.85 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 47.62 35.14 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.82 -26.23 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -86.18 146.54 26.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -97.92 102.11 13.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 154' ' ' PHE . 23.5 mt -58.25 129.25 41.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.02 104.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 146' ' ' ILE . 2.7 t -94.29 126.42 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.94 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.32 156.83 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.403 ' HB3' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -135.25 155.34 78.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 110.937 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 109.93 2.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 167' ' ' ASP . 6.5 t -84.47 -45.7 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.523 ' N ' HG23 ' A' ' 166' ' ' THR . 1.5 p30 -63.43 144.17 57.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.93 83.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 19.6 tp -134.36 117.49 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.95 -55.61 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 172' ' ' SER . 93.8 m -125.44 118.92 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 171' ' ' CYS . 47.9 t -35.32 126.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -167.32 171.5 42.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 175' ' ' SER . 53.6 Cg_endo -69.8 -29.5 23.56 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 174' ' ' PRO . 80.0 p -35.1 -36.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 174' ' ' PRO . 20.7 t -132.03 99.75 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m -68.71 -54.76 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.8 p -152.47 120.15 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.59 96.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.6 p -88.34 38.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.5 p -65.84 -45.34 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.72 139.58 48.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -138.01 157.14 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.65 HD11 ' HD3' ' A' ' 165' ' ' PRO . 36.6 mt -105.37 132.93 50.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 99' ' ' VAL . 19.1 t -109.49 88.02 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -94.12 165.49 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 68.84 52.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 106' ' ' SER . 45.1 mt -97.03 156.37 36.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -174.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.25 -31.77 33.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 5.1 t0 -103.57 26.06 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.7 t -59.29 141.33 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 20.2 m-80 -152.3 165.53 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 12.9 t -63.79 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 10.6 tt0 -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.62 -53.89 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.4 -49.21 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.32 -59.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.39 -41.85 85.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.44 -39.96 77.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.82 40.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 11.6 ptpt -62.39 -48.34 80.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 5.1 m-20 -41.87 -46.64 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 19.3 m-85 -88.3 162.03 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.81 125.8 36.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.22 131.97 44.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 137' ' ' LEU . 1.3 mptp? -103.13 -49.4 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -143.91 136.34 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -132.13 129.14 39.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -132.16 98.02 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.67 126.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.7 m-20 -119.04 92.32 3.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -60.05 -43.49 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -46.76 -34.32 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -123.1 14.27 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 126' ' ' ASP . 61.1 mtm180 38.59 54.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.6 m -142.68 117.73 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.5 125.04 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -92.37 119.64 32.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.45 132.84 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.7 m -110.3 106.79 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.957 HD12 ' HB2' ' A' ' 142' ' ' ALA . 53.0 mt -79.25 176.96 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 121' ' ' LYS . 20.6 tp -67.31 -62.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' CB ' ' OE2' ' A' ' 140' ' ' GLU . 86.0 m-20 -121.24 171.44 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.42 -47.05 11.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 141' ' ' GLN . 24.4 pm0 -47.19 -33.86 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.462 ' N ' ' HG2' ' A' ' 140' ' ' GLU . 5.6 mt-30 -69.9 -41.06 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.21 -49.39 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' ALA . 42.0 mm-40 -35.43 -33.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 142' ' ' ALA . 56.7 m-80 -95.74 -57.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.18 -22.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.59 HD13 HD22 ' A' ' 163' ' ' LEU . 38.8 mt -71.21 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -60.16 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 68.5 mmm -56.14 -51.89 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -87.52 -17.19 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.9 t60 -49.25 127.55 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 69.8 mt-30 66.0 45.27 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -97.32 149.57 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 25.4 t -74.05 120.85 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -153.75 106.96 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 64.05 27.2 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.4 -29.39 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -87.11 163.86 16.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -107.64 102.72 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.9 mt -56.07 128.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 28.0 mm -105.94 104.0 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.21 127.62 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -142.04 172.95 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 146' ' ' ILE . 4.3 mm? -75.42 164.67 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.69 143.16 29.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.65 ' HD3' HD11 ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 176.86 6.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 34.8 m -159.25 138.41 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.01 46.14 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -115.6 84.97 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 169' ' ' LEU . 0.4 OUTLIER -55.43 -26.38 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -90.81 25.76 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 170' ' ' LEU . 1.9 m -36.61 124.32 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.8 m -93.0 -42.89 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 106.96 -103.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.25 4.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.2 m 61.6 43.24 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 42.1 t -146.82 132.89 19.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 t -90.35 135.97 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.0 p -112.95 -46.72 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.58 179.74 41.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.0 p -115.24 101.84 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.0 p -84.73 132.69 34.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.18 143.81 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.572 HD12 ' CG1' ' A' ' 161' ' ' VAL . 36.3 pt -144.21 159.89 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.68 141.9 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 102' ' ' LEU . 24.9 t -112.4 87.32 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -93.9 162.55 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 160' ' ' ILE . 28.7 t30 72.53 43.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 HG11 ' A' ' 99' ' ' VAL . 49.1 mt -84.84 156.65 61.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.81 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -89.71 -31.81 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.7 p-10 -108.26 35.33 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 28.5 t -63.51 156.29 26.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 48.6 m-80 -161.64 162.37 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 109' ' ' GLN . 44.0 t -70.97 -61.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.5 tp60 -34.32 -40.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.77 -52.62 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 108' ' ' CYS . 86.7 t -61.17 -53.34 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.547 ' HA ' HD22 ' A' ' 120' ' ' LEU . 10.8 t-80 -37.77 -54.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.05 -43.79 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.726 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 29.4 mt -95.89 29.45 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -41.53 40.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -45.55 -51.13 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -94.61 157.3 16.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.09 135.68 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.547 HD22 ' HA ' ' A' ' 112' ' ' HIS . 6.4 mp -108.9 120.52 42.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -88.29 -56.08 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -137.12 139.68 41.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.07 126.78 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -124.25 101.47 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.26 127.06 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' ARG . 9.5 m-20 -120.03 95.85 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -58.59 -42.74 88.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -50.85 -39.66 54.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 130' ' ' ARG . 19.7 mttm -113.59 15.89 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 129' ' ' LYS . 1.6 mpp_? 33.72 55.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.495 ' CA ' HD12 ' A' ' 102' ' ' LEU . 74.0 m -142.28 133.1 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -119.85 126.42 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -93.52 113.3 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.24 123.6 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.4 m -101.12 103.02 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.732 HD12 ' HB2' ' A' ' 142' ' ' ALA . 78.1 mt -76.25 172.74 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.7 -59.04 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -117.56 157.92 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.22 65.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -43.24 -46.59 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -52.16 -47.03 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.732 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.05 -49.43 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 63.1 mm-40 -34.89 -40.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 143' ' ' GLN . 34.4 mt -60.98 -67.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.54 -44.32 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 18.9 mtp -45.62 -42.68 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.726 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -93.48 -33.62 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' PHE . 68.5 t60 -36.97 125.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 66.94 40.8 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 153' ' ' SER . 40.7 t80 -84.71 161.95 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 1.7 t -86.38 110.38 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -152.6 114.66 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 52.52 40.52 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.54 24.99 57.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -119.49 166.32 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.28 69.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 84.5 mt -38.04 125.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.457 HD12 ' HB2' ' A' ' 101' ' ' ASN . 26.1 mt -101.38 106.53 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 97' ' ' ILE . 3.8 t -95.92 134.16 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.87 172.07 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.5 tp -95.67 127.8 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.77 140.16 89.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.76 23.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 30.8 m -138.25 131.49 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.13 -55.36 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.81 113.09 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.24 105.2 14.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -165.33 143.07 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 99.1 m -76.34 155.0 34.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 33.5 m -121.08 -42.96 2.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 140.73 -158.09 26.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -5.29 15.87 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.5 m -63.56 -61.45 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 54.5 p -56.89 115.4 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -90.5 154.64 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 p -122.92 -23.69 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.33 -75.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.0 t 48.42 38.08 10.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -91.38 134.54 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.17 149.63 6.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 146' ' ' ILE . 23.7 pt -143.73 151.94 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.4 mt -105.95 127.14 52.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.6 t -96.63 94.94 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -101.12 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.442 ' HB2' HD12 ' A' ' 160' ' ' ILE . 37.5 t30 69.24 53.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 99' ' ' VAL . 85.4 mt -91.59 153.69 44.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -164.78 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -87.97 -26.49 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -111.99 33.31 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.646 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -70.07 145.33 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -160.08 169.08 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -59.44 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 92.4 mm-40 -34.99 -40.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.95 -53.69 50.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -46.36 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -40.48 -63.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.37 -46.08 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.05 -45.27 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.45 41.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.5 ptmm? -64.13 -43.82 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 25.8 t0 -48.08 -45.62 32.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -90.23 148.31 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.6 127.53 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.03 125.03 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -88.56 -40.8 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.75 134.69 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.5 t -130.29 118.74 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.62 118.69 23.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.0 t -95.03 132.38 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -118.98 89.81 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -59.04 -41.47 87.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.79 -42.81 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -112.31 13.05 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 41.59 53.95 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.3 m -147.98 132.76 17.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -116.42 128.83 55.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.39 122.38 34.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.58 125.99 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.2 m -105.93 101.84 11.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.849 HD12 ' HB2' ' A' ' 142' ' ' ALA . 91.4 mt -70.74 -179.83 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.45 -61.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -121.69 175.56 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.77 -56.98 3.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -37.68 -37.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -66.41 -46.03 77.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.849 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.59 -52.2 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' ALA . 27.8 mm-40 -35.13 -34.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 142' ' ' ALA . 5.4 m-80 -94.55 -54.54 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.73 -30.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 97' ' ' ILE . 32.6 mt -60.09 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -64.83 -44.03 91.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 mtt -49.76 -34.25 18.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -105.86 -18.07 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.577 ' CD2' ' HG3' ' A' ' 151' ' ' GLN . 11.6 t-160 -48.49 128.91 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.577 ' HG3' ' CD2' ' A' ' 150' ' ' HIS . 35.1 mt-30 65.2 42.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -92.97 150.29 20.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.42 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 23.2 t -76.58 124.72 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.49 ' CG ' HD11 ' A' ' 159' ' ' LEU . 14.2 t80 -156.08 106.41 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 64.85 26.51 12.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.73 -25.05 14.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -88.99 156.64 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.99 95.9 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 154' ' ' PHE . 52.1 mt -54.47 125.31 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.9 mt -103.23 106.04 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.68 126.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -131.51 174.63 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 24.3 tp -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.478 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 34.1 mt-30 -84.1 144.11 43.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 166' ' ' THR . 53.6 Cg_endo -69.82 101.47 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 165' ' ' PRO . 0.7 OUTLIER -33.7 117.21 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.92 -58.35 5.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -99.46 147.8 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 169' ' ' LEU . 4.2 mp -86.27 -23.83 26.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 10.5 mt -149.41 162.85 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 38.7 t -51.85 101.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.5 p -117.52 124.67 49.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 56.61 83.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.78 68.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 9.6 m -82.62 176.88 9.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 45.3 m -143.28 154.77 44.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 m -94.98 82.51 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.5 p -149.68 164.9 33.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.5 175.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -82.31 47.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.7 p -79.42 161.72 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . 106.12 140.36 9.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 40.3 pt -140.29 152.17 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.923 HD11 ' HD3' ' A' ' 165' ' ' PRO . 32.5 mt -103.2 131.68 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 102' ' ' LEU . 20.0 t -102.16 100.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -106.83 156.99 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.623 ' HB2' HD12 ' A' ' 160' ' ' ILE . 17.0 t30 74.96 47.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' OG ' ' A' ' 106' ' ' SER . 37.7 mt -88.66 157.33 49.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' CB ' ' HD3' ' A' ' 155' ' ' ARG . 53.7 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.94 -37.37 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.4 t70 -100.24 31.7 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.569 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -68.36 150.96 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 14.0 m-80 -162.64 167.43 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.7 m -70.81 -58.83 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' CYS . 15.1 mt-30 -33.97 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 108' ' ' CYS . 10.3 tp10 -76.45 -48.77 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 108' ' ' CYS . 97.2 t -63.21 -47.27 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.1 t-160 -38.39 -60.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -57.93 -42.64 85.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.9 -49.37 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 120' ' ' LEU . 31.3 mt -95.3 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 20.9 pttp -68.62 -42.9 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 38.3 m-20 -48.62 -47.94 39.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -89.32 166.62 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.13 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 115' ' ' LEU . 7.0 mp -113.49 122.19 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -94.06 -43.12 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 124' ' ' TYR . 76.4 t80 -147.51 135.28 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.8 t -132.79 105.7 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.577 ' HB2' ' CE2' ' A' ' 122' ' ' TYR . 79.5 t80 -117.24 112.5 20.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 108' ' ' CYS . 59.1 t -101.52 139.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.54 137.36 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -29.12 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.02 -33.27 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -102.66 -5.4 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 43.31 45.86 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 75.9 m -134.62 139.2 45.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.57 118.17 29.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.25 117.99 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.93 118.88 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.6 m -97.89 106.88 19.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 142' ' ' ALA . 92.4 mt -77.24 174.71 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.14 -58.82 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -118.75 169.0 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.79 -50.48 7.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -44.86 -34.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -63.11 -44.5 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.24 -49.12 46.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.51 ' OE1' HD21 ' A' ' 163' ' ' LEU . 11.0 mm100 -36.46 -38.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -88.71 -61.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.42 -45.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.49 ' HA ' HG11 ' A' ' 161' ' ' VAL . 34.3 mt -44.25 -59.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' MET . 5.0 tt0 -69.85 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 147' ' ' GLN . 13.8 mmt -38.03 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' HIS . 3.1 m-85 -90.88 -40.03 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -37.54 124.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 66.22 41.72 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.505 ' CG ' ' N ' ' A' ' 153' ' ' SER . 38.4 t80 -90.01 162.43 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 6.9 t -82.8 103.36 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.424 ' CG ' HD11 ' A' ' 159' ' ' LEU . 40.4 t80 -142.54 107.79 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.413 ' HD3' ' CB ' ' A' ' 103' ' ' PRO . 23.8 mtp85 55.13 42.75 30.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 55.86 27.29 49.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -118.95 174.93 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -115.67 76.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 154' ' ' PHE . 75.1 mt -46.14 125.14 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 101' ' ' ASN . 61.7 mt -103.67 105.98 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 146' ' ' ILE . 14.3 t -97.44 128.86 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.65 175.13 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.51 HD21 ' OE1' ' A' ' 143' ' ' GLN . 15.0 mt -81.48 166.92 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.428 ' HG3' ' C ' ' A' ' 96' ' ' GLY . 22.0 mt-30 -79.0 143.51 61.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.923 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.75 86.58 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 45.3 m -120.92 98.0 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 167' ' ' ASP . 1.0 OUTLIER -74.7 151.19 39.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -167.67 135.94 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.9 -27.02 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 57.5 mt -117.26 131.7 56.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.43 141.24 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.5 p -147.33 162.04 39.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -102.56 172.72 22.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.23 5.56 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.0 m -74.8 131.05 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 55.1 m -154.69 148.24 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.4 p -125.37 120.57 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 m -129.55 174.46 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.41 -121.14 19.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.64 ' O ' HD11 ' A' ' 163' ' ' LEU . 19.4 m 45.92 38.02 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -89.73 165.94 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.97 148.67 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 HG13 ' A' ' 161' ' ' VAL . 44.0 pt -142.78 161.5 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.1 mt -108.52 132.96 53.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.845 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 19.1 t -99.28 92.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 72.03 48.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.732 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -88.88 156.53 49.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.228 . . . . 0.0 112.36 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -84.93 -28.22 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -114.64 37.97 3.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.732 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -69.24 153.92 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 106' ' ' SER . 17.5 m120 -162.22 168.18 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.459 ' N ' HG21 ' A' ' 125' ' ' VAL . 20.4 t -63.82 -61.17 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 45.0 mm-40 -34.73 -41.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.75 -51.51 66.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 112' ' ' HIS . 85.2 t -68.41 -55.43 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' VAL . 44.2 t-80 -35.59 -60.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.86 -42.27 79.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.67 -52.01 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.834 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 27.0 mt -86.49 26.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -49.62 -49.92 45.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -40.94 -47.47 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 2.3 m-85 -91.23 146.76 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.51 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 112' ' ' HIS . 6.8 mp -95.26 130.2 42.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -100.59 -38.32 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -161.0 136.86 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -131.33 129.0 40.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -127.98 101.48 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.3 t -86.73 121.09 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.11 89.13 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -54.51 -42.98 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -43.41 -45.04 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -112.03 14.99 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 41.11 47.37 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.2 m -133.02 136.16 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.845 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -121.58 113.42 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -81.76 106.56 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -106.9 132.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 94.7 m -112.28 103.33 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.78 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -74.4 178.68 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.5 tp -71.61 -58.54 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -127.47 177.21 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -75.81 -54.47 5.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.3 mm-40 -36.97 -44.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.61 -47.99 82.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.78 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.92 -53.03 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 142' ' ' ALA . 14.2 mm100 -34.98 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.9 m-80 -95.35 -59.98 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.89 -31.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.57 -58.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.56 -35.43 80.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.4 mtp -68.42 -54.76 14.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.834 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 4.6 m-85 -65.65 -48.08 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.485 ' C ' ' O ' ' A' ' 149' ' ' PHE . 12.3 t-80 -31.76 127.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 68.22 40.09 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 153' ' ' SER . 35.2 t80 -87.26 160.12 18.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 10.5 t -91.3 103.66 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -145.15 110.74 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 58.34 45.66 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 53.31 28.35 34.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -128.69 155.65 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.52 77.58 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 65.4 mt -44.59 126.48 5.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 37.0 mm -99.85 117.29 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 97' ' ' ILE . 20.5 t -106.85 128.64 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -131.4 172.82 11.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.64 HD11 ' O ' ' A' ' 94' ' ' SER . 6.5 tp -104.73 128.91 52.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.55 140.49 65.96 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 48.2 m -117.68 100.09 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -69.88 -52.52 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -148.18 130.38 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.8 HD23 ' H ' ' A' ' 169' ' ' LEU . 2.2 pt? -93.72 28.81 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.49 175.56 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.25 133.03 47.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.4 t -165.8 139.8 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 159.27 145.95 4.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 36.1 p -131.36 138.57 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 33.3 t -117.64 82.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.1 p -71.48 97.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -56.42 159.89 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.93 73.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.487 ' O ' HD11 ' A' ' 163' ' ' LEU . 79.4 p -69.78 114.64 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.2 p -91.2 161.63 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . . . 112.35 148.9 10.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 pt -139.23 154.16 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.35 131.39 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.57 HG11 HD21 ' A' ' 102' ' ' LEU . 17.9 t -99.57 97.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -108.68 156.55 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.0 t30 74.11 48.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.686 HD22 ' OG ' ' A' ' 106' ' ' SER . 46.5 mt -88.51 156.65 50.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -90.05 -31.08 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.3 m-20 -108.9 35.15 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.686 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.3 t -71.11 151.36 44.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 1.7 m-80 -157.92 156.64 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 111' ' ' VAL . 40.8 t -63.52 -58.94 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' CYS . 66.6 mt-30 -34.91 -36.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' CYS . 6.5 tp10 -72.96 -48.41 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' CYS . 89.8 t -63.0 -40.71 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -47.68 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -52.3 -41.65 63.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.46 -53.76 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 39.9 mt -88.01 39.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 25.3 pttm -61.82 -45.22 94.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 45.9 m-20 -46.23 -46.09 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.436 ' O ' HD12 ' A' ' 120' ' ' LEU . 5.9 m-85 -91.59 143.19 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.78 120.96 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 118' ' ' TYR . 7.0 mp -94.42 128.82 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -96.38 -44.39 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 145.74 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.73 131.28 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -138.5 111.28 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 132' ' ' ALA . 69.9 t -91.99 144.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.44 148.79 38.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -103.96 -24.64 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -74.26 -44.61 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' ARG . 42.6 mttt -112.68 14.53 20.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' LYS . 29.7 mmm180 36.2 51.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 m -129.36 142.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 125' ' ' VAL . . . -122.31 127.75 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.03 124.1 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.01 135.17 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 91.5 m -109.12 106.17 15.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.0 mt -77.23 179.0 6.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 46.2 tp -82.74 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -111.76 153.38 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.63 -47.36 77.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.81 -34.92 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.92 -44.95 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -65.76 -51.1 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 146' ' ' ILE . 66.1 mm-40 -35.02 -41.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.97 -56.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.92 -27.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 163' ' ' LEU . 33.1 mt -58.71 -64.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -71.72 -42.63 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 19.5 mmm -47.13 -33.96 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 5.7 m-85 -100.85 -41.33 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -34.74 126.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.74 48.96 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' TYR . . . . . 0.453 ' CG ' ' N ' ' A' ' 153' ' ' SER . 37.7 t80 -91.63 160.66 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 30.8 t -85.52 99.74 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -145.85 114.42 6.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 55.77 41.53 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.36 13.13 14.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -108.58 170.67 7.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.78 77.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 102' ' ' LEU . 75.1 mt -44.87 118.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 82.8 mt -94.54 104.16 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.615 HG21 ' CB ' ' A' ' 149' ' ' PHE . 20.3 t -97.06 127.46 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -132.55 175.54 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.669 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.0 tp -101.7 135.66 42.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.2 143.84 52.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.98 17.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 24.9 m -137.13 128.97 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -99.91 45.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -107.39 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.5 tp -170.77 153.09 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 170' ' ' LEU . 4.0 pp -97.16 171.54 8.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.5 t -165.47 135.43 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 59.6 p -87.73 -13.21 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 62.88 84.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.74 36.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.224 . . . . 0.0 112.351 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.0 t -42.38 148.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 24.4 m -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 38.0 pt -140.54 157.48 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.1 mt -108.59 127.38 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' A' ' 102' ' ' LEU . 21.2 t -96.86 97.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.42 170.05 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.761 ' HB2' HD12 ' A' ' 160' ' ' ILE . 18.4 t30 60.35 52.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' A' ' 99' ' ' VAL . 60.7 mt -91.92 152.96 43.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -168.04 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -86.81 -28.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -105.1 24.16 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.7 t -65.81 140.14 58.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -152.97 166.3 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.33 -52.4 62.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -41.07 -33.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.81 -44.9 19.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.56 -51.91 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.419 ' HA ' HD22 ' A' ' 120' ' ' LEU . 1.9 t-160 -46.58 -55.94 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -39.74 81.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.7 tp -56.62 -51.11 69.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 97' ' ' ILE . 38.3 mt -91.65 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -41.63 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -49.86 -42.28 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.737 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 30.4 m-85 -93.59 163.57 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.05 112.01 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.2 mp -86.1 139.29 31.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -105.54 -37.99 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -154.34 150.19 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -140.4 129.33 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -131.1 98.95 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.28 129.19 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.6 t0 -119.88 88.96 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -54.55 -48.47 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -45.87 9.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -109.53 14.19 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 126' ' ' ASP . 67.8 mtm-85 38.23 53.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.6 m -138.07 130.98 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -120.09 114.19 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.66 117.74 23.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -113.19 136.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.6 m -110.48 99.38 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 142' ' ' ALA . 75.5 mt -71.37 -178.1 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.68 -64.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -115.52 165.59 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.99 -50.39 29.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.6 -44.69 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -53.34 -47.0 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -62.96 -57.84 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.548 HE22 HD11 ' A' ' 163' ' ' LEU . 10.0 mm-40 -35.16 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 142' ' ' ALA . 2.6 m-80 -95.73 -56.95 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.737 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -42.97 -34.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 58.5 mt -53.41 -68.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.82 -41.4 87.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 8.0 mmt -55.58 -26.71 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.07 -10.92 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 7.1 t60 -52.57 139.72 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.8 pt20 45.68 32.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 153' ' ' SER . 30.8 t80 -66.21 160.01 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 2.3 t -80.65 110.46 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -151.42 109.81 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? 58.47 42.26 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 61.97 15.6 49.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.02 171.13 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.64 83.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 152' ' ' TYR . 95.5 mt -47.87 116.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 101' ' ' ASN . 63.0 mt -93.76 117.16 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 146' ' ' ILE . 3.8 t -106.78 131.44 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -132.49 175.99 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.548 HD11 HE22 ' A' ' 143' ' ' GLN . 12.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 pt -128.92 150.09 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.6 mt -104.59 133.08 50.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.839 ' CG1' HD21 ' A' ' 102' ' ' LEU . 18.6 t -102.71 95.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 162' ' ' GLN . 65.5 mttt -101.13 157.33 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t30 74.07 51.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.839 HD21 ' CG1' ' A' ' 99' ' ' VAL . 82.9 mt -93.05 153.84 41.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -166.16 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -92.21 -8.7 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.3 p30 -122.53 22.93 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.57 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.8 t -58.46 138.0 56.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 46.1 m-80 -150.4 162.37 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLN . 37.8 t -62.74 -58.16 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' CYS . 35.0 mt-30 -37.66 -38.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.61 -56.76 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.409 HG11 HG21 ' A' ' 134' ' ' VAL . 43.4 t -59.94 -51.46 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.514 ' HA ' HD22 ' A' ' 120' ' ' LEU . 3.3 t-160 -41.99 -61.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.23 -38.3 82.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.3 -49.0 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.678 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 44.1 mt -98.02 41.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.92 -39.39 81.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -49.85 -36.58 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.64 166.57 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.09 119.58 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.9 mp -92.68 132.12 37.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -100.32 -42.4 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -149.38 143.04 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.24 136.27 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 114.19 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.78 129.39 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.73 89.67 3.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -50.45 -38.16 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -50.99 -56.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -97.16 12.32 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 39.26 52.91 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.8 m -139.76 135.94 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -118.08 134.16 55.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.64 118.02 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.409 HG21 HG11 ' A' ' 111' ' ' VAL . 66.9 t -118.01 130.42 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.2 m -111.2 103.22 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 142' ' ' ALA . 26.2 mt -71.87 -179.11 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 30.0 tp -73.32 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.44 165.48 14.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -72.54 -50.65 14.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 33.5 tt0 -42.44 -35.8 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.41 -37.08 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.691 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -68.1 -50.07 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 146' ' ' ILE . 35.6 mm-40 -41.6 -29.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 23.0 m-80 -93.54 -58.85 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.61 -31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 143' ' ' GLN . 62.7 mt -55.53 -69.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.7 mtt -58.98 -20.5 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.678 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 12.7 m-85 -125.67 -5.98 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -54.76 138.54 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 159' ' ' LEU . 6.5 pt20 41.45 46.58 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 153' ' ' SER . 7.4 t80 -80.03 158.68 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 19.7 t -78.27 97.12 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.03 108.66 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 52.45 28.42 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.38 -20.62 39.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -87.58 139.99 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -91.41 73.25 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.566 HD22 HD23 ' A' ' 102' ' ' LEU . 26.6 mt -36.98 139.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 32.4 mm -110.21 121.19 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.12 126.31 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.452 ' NE2' ' HD2' ' A' ' 100' ' ' LYS . 7.0 pt20 -140.52 166.82 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.61 150.43 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD2' ' CD2' ' A' ' 133' ' ' PHE . 53.2 mt -106.19 140.04 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.771 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.5 t -108.16 85.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.81 178.29 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.4 t30 61.23 45.35 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.752 HD21 ' CG1' ' A' ' 99' ' ' VAL . 72.5 mt -88.36 152.23 49.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -92.66 -16.1 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 2.7 m-20 -120.72 33.79 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.526 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.6 t -64.07 150.41 45.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 3.3 m-80 -156.83 158.53 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 16.7 t -67.66 -63.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 20.6 tt0 -34.38 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER -67.49 -57.42 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 96.2 t -64.17 -53.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.565 ' CD2' HD22 ' A' ' 120' ' ' LEU . 6.0 t-80 -34.47 -52.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -41.64 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . 9.9 tp -54.87 -45.37 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.54 48.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -71.05 -39.75 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.87 -46.22 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 11.8 m-85 -85.03 148.83 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.34 122.62 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 112' ' ' HIS . 7.0 mp -94.16 148.81 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -121.63 -37.38 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -153.31 124.76 7.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 t -120.29 121.42 38.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -134.29 107.23 7.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.3 127.71 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.5 t0 -118.25 90.07 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 128' ' ' ASN . 25.6 ptt180 -58.15 -44.28 87.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 127' ' ' ARG . 38.4 t30 -53.58 -38.53 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 130' ' ' ARG . 23.5 mttt -110.42 11.75 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' ASP . 32.3 mtp180 36.29 54.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 94.4 m -145.46 122.87 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -105.87 120.34 41.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 51.7 m-85 -86.27 114.75 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -120.29 109.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.9 m -86.4 107.24 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.7 mt -74.21 172.63 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.19 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -114.38 165.36 12.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -65.33 -57.94 10.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 139' ' ' GLY . 8.6 tm-20 -35.48 -49.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -52.24 -44.44 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.18 -59.66 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 139' ' ' GLY . 1.1 mp0 -35.41 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.3 m-80 -95.79 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -37.63 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 144' ' ' ASN . 72.0 mt -62.79 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.93 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 35.1 mmt -51.56 -39.07 57.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.5 -16.32 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.22 132.86 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 62.01 39.54 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 1.6 t -75.38 120.07 20.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -152.53 109.48 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 52.98 26.57 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 89.49 -16.19 56.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -93.31 156.17 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' LEU . 19.5 m-20 -98.89 80.26 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 158' ' ' ASP . 41.8 mt -35.44 132.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.9 mm -107.02 104.13 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -93.3 129.81 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -140.15 -179.37 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 163' ' ' LEU . 2.3 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 pt -137.83 153.39 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -107.87 132.53 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.751 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.0 t -104.24 92.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -102.51 162.16 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.2 t30 70.9 51.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.751 HD21 ' CG1' ' A' ' 99' ' ' VAL . 71.9 mt -91.9 155.0 43.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -166.96 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.98 -31.06 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 m-20 -105.48 29.75 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.533 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.9 t -63.04 140.73 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 64.7 m-80 -149.42 172.98 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 11.0 t -71.96 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 27.0 mm-40 -38.18 -39.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 5.9 mp0 -64.08 -48.57 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.34 -42.49 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.465 ' CD2' HD22 ' A' ' 120' ' ' LEU . 4.4 m170 -47.08 -63.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.69 -42.65 64.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.2 tp -57.07 -52.18 66.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.473 ' O ' HD11 ' A' ' 120' ' ' LEU . 28.0 mt -94.31 44.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -66.26 -45.87 79.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.54 -51.0 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 33.7 m-85 -82.33 174.84 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -110.78 104.72 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 120' ' ' LEU . 4.6 mp -74.19 130.35 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -102.29 -45.69 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -136.17 119.83 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.57 112.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -125.3 105.88 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.88 125.65 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.94 89.67 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -57.64 -42.1 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -46.84 -43.01 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -113.63 14.43 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 28.7 mtm-85 39.24 51.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -138.66 125.33 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -114.18 115.48 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -83.06 117.63 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.34 117.56 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -95.24 113.73 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.8 mt -81.1 169.13 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.84 -62.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -117.57 176.01 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.63 -50.52 6.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -44.85 -48.1 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -51.02 -41.3 59.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -69.87 -55.38 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 96.1 mm-40 -34.93 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 142' ' ' ALA . 61.5 m-80 -94.5 -58.72 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.01 -39.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 150' ' ' HIS . 43.5 mt -50.94 -67.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -65.08 -50.5 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 6.9 mmt -45.74 -39.54 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -96.91 -21.93 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 146' ' ' ILE . 17.4 t60 -48.75 132.38 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.404 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 84.0 mt-30 59.35 46.08 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.52 ' HD2' HD12 ' A' ' 159' ' ' LEU . 47.2 t80 -92.57 148.47 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.411 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 31.8 t -74.59 120.43 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -156.04 116.82 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 55.14 28.21 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.76 -19.68 23.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -90.66 170.76 9.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -112.9 94.19 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 152' ' ' TYR . 65.6 mt -50.09 119.46 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 77.6 mt -94.9 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 132.31 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.83 174.5 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.438 HG22 HG12 ' A' ' 146' ' ' ILE . 32.2 pt -149.45 153.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -106.98 131.08 54.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 24.0 t -106.43 87.92 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -96.7 160.19 14.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.1 t30 73.77 47.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' CG1' ' A' ' 99' ' ' VAL . 38.4 mt -91.51 156.6 43.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -95.09 -26.91 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.3 m-20 -108.1 30.19 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 5.6 t -62.39 158.16 18.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 42.6 m-80 -162.37 158.46 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.71 -56.92 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.16 -37.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.71 -46.68 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.1 -37.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -49.17 -60.44 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -44.53 65.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.0 tp -55.25 -46.51 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.95 45.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 -30.01 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 -39.24 75.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.3 m-85 -100.65 159.45 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.97 116.87 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.82 126.18 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -92.81 -55.45 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -133.02 136.13 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -133.36 129.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -136.53 106.53 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.91 127.84 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -119.75 89.95 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -55.83 -41.8 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -47.33 -43.78 23.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -110.4 14.17 22.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 39.97 50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -141.66 133.61 27.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.76 43.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.85 121.5 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.03 126.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 65.1 m -105.03 103.21 12.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -71.75 177.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.81 -61.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -123.54 177.37 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -77.57 -57.24 3.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.8 mt-10 -37.16 -41.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -63.04 -44.1 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.87 -51.69 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 24.8 mm-40 -35.95 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 142' ' ' ALA . 45.1 m-80 -96.97 -58.61 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.41 -27.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 97' ' ' ILE . 38.2 mt -61.86 -66.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 -49.66 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 80.2 mmm -41.43 -40.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.64 -30.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -39.7 126.93 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 68.89 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 153' ' ' SER . 56.5 t80 -92.76 148.1 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.53 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 15.7 t -77.39 120.54 22.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -149.79 119.65 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 49.75 26.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 92.62 -24.38 23.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -90.14 151.49 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -93.39 99.01 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 75.8 mt -55.81 121.09 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 96.7 mt -96.0 102.56 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.1 t -95.39 123.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -134.93 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.4 pt -146.11 152.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.6 mt -104.61 125.47 50.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.753 ' CG1' HD21 ' A' ' 102' ' ' LEU . 15.6 t -103.4 86.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -94.8 163.97 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.581 ' HB2' HD13 ' A' ' 160' ' ' ILE . 13.9 t-20 74.32 37.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.753 HD21 ' CG1' ' A' ' 99' ' ' VAL . 59.9 mt -81.61 149.42 64.37 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -95.24 -16.32 22.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.19 31.45 6.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.546 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.9 t -73.89 152.57 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.83 162.33 32.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.09 -40.85 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -51.26 -34.13 31.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.45 -53.3 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.31 -54.49 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -39.66 -52.45 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -57.48 -47.17 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.6 tp -52.55 -45.77 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.84 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -2.31 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.67 -28.88 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 14.3 m-85 -104.98 154.27 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.04 128.03 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.18 117.51 34.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -91.08 -45.0 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -151.44 135.27 16.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.42 124.87 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.22 105.99 9.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.64 132.26 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -118.64 93.29 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -27.64 69.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -56.94 -51.49 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -107.12 5.36 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 54.58 49.65 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 92.6 m -137.83 124.41 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -115.8 130.61 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -98.69 112.54 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.46 115.04 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 87.9 m -96.02 115.82 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' A' ' 142' ' ' ALA . 23.2 mt -89.28 -179.17 5.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.14 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -105.61 161.28 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.96 -37.58 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -58.47 -40.56 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.711 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.62 -53.45 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 142' ' ' ALA . 34.3 mm-40 -37.03 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' ALA . 42.1 m-80 -97.48 -50.5 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -46.56 -22.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 150' ' ' HIS . 65.7 mt -80.7 -72.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -51.97 -28.66 17.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 23.6 mmm -68.72 -42.92 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -114.29 26.43 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 146' ' ' ILE . 10.0 t60 -79.76 118.98 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 64.96 45.41 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 153' ' ' SER . 17.9 t80 -84.13 153.23 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.423 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 40.9 t -78.78 112.85 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -132.76 105.5 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 52.57 33.04 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 93.87 -22.89 33.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . 0.641 ' O ' HD12 ' A' ' 160' ' ' ILE . 22.8 m-20 -87.69 75.75 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' ASP . 90.6 mt -35.32 120.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 158' ' ' ASP . 3.8 mp -98.98 100.4 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.94 126.63 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -137.37 -179.2 5.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 146' ' ' ILE . 21.1 pt -123.61 158.7 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.6 mt -109.78 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.658 ' CG1' HD21 ' A' ' 102' ' ' LEU . 22.4 t -104.96 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -103.71 159.93 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.817 ' HB2' HD12 ' A' ' 160' ' ' ILE . 35.2 t30 73.09 46.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 ' CG1' ' A' ' 99' ' ' VAL . 52.8 mt -89.48 156.23 48.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.96 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -88.78 -9.83 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 30.34 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.515 ' OG ' HD22 ' A' ' 102' ' ' LEU . 5.2 t -68.55 142.98 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -157.69 163.61 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.8 m -56.92 -60.51 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 108' ' ' CYS . 62.4 tt0 -34.41 -43.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.63 -47.04 80.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 108' ' ' CYS . 80.5 t -72.05 -57.94 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 3.1 t-160 -36.15 -63.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.42 -48.35 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 tp -50.83 -43.61 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.652 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 38.5 mt -95.17 41.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -65.4 -32.94 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 13.4 m-85 -90.99 163.61 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.73 131.32 36.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 112' ' ' HIS . 7.3 mp -102.51 128.05 49.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 1.3 mptp? -97.16 -34.21 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -159.51 138.17 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.3 t -131.46 110.05 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -117.99 113.07 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 108' ' ' CYS . 95.7 t -98.64 129.61 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.57 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -59.92 -30.11 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.88 -33.49 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 130' ' ' ARG . 24.0 mttm -119.54 14.65 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 129' ' ' LYS . 33.6 mmt180 37.51 51.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.1 m -143.77 140.71 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.19 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -96.95 122.72 40.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.72 124.24 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.7 m -101.33 99.84 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.93 177.89 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.28 -64.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -117.32 170.58 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.33 -50.49 9.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.24 -47.75 84.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -62.62 -49.93 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 142' ' ' ALA . 32.4 mm-40 -37.12 -43.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -89.07 -51.28 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -47.07 -20.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 161' ' ' VAL . 22.4 mt -83.47 -57.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.0 mmt -75.31 -56.57 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -66.74 -50.11 63.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 149' ' ' PHE . 13.8 t60 -34.1 131.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.432 ' HG2' ' CG ' ' A' ' 150' ' ' HIS . 8.6 mm100 69.44 37.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.4 t80 -94.0 144.8 25.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 24.6 t -76.58 106.45 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -134.28 104.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 57.58 27.37 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.1 -19.23 43.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -91.12 136.48 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -87.42 89.93 8.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 102' ' ' LEU . 90.2 mt -47.39 133.03 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 101' ' ' ASN . 55.7 mt -106.04 103.97 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 146' ' ' ILE . 21.9 t -98.77 124.11 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.54 158.78 43.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -143.0 157.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.87 125.69 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -97.19 97.45 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -104.9 159.17 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.8 t30 74.82 46.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 HG11 ' A' ' 99' ' ' VAL . 48.7 mt -86.39 156.28 56.73 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -89.85 -30.1 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.06 36.57 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.523 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.1 t -69.51 149.73 47.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -155.4 169.5 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 52.7 t -73.64 -61.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 26.9 mt-30 -34.43 -47.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.02 -50.15 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' CYS . 88.2 t -61.62 -44.68 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -42.63 -62.52 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.63 -45.97 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.18 -45.38 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 mt -95.37 36.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.2 ptpp? -59.24 -44.51 92.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 6.2 m-20 -47.66 -45.17 27.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -93.27 144.91 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.08 123.63 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.67 135.07 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -107.95 -39.65 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -151.64 130.23 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.41 129.04 44.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -129.47 113.76 15.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.41 126.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.56 90.9 3.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.44 -29.86 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -56.9 -44.3 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -112.19 14.27 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 42.21 53.45 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.7 m -140.49 141.25 35.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.12 120.09 30.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.35 115.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.07 128.47 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.5 m -105.97 102.07 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 142' ' ' ALA . 54.0 mt -75.13 175.08 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -114.75 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.87 -52.34 20.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -39.84 -43.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -56.72 -43.64 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.757 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.53 -51.52 49.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 146' ' ' ILE . 53.9 mm-40 -34.99 -36.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.5 m-80 -90.63 -60.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 143' ' ' GLN . 57.5 mt -50.31 -67.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -68.1 -46.55 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.4 mmm -44.37 -41.29 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' A' ' 161' ' ' VAL . 3.3 m-85 -92.84 -35.67 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.513 ' CE1' HE21 ' A' ' 151' ' ' GLN . 29.5 t60 -38.6 125.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.513 HE21 ' CE1' ' A' ' 150' ' ' HIS . 29.0 mm-40 68.15 42.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 153' ' ' SER . 47.8 t80 -87.88 164.28 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 40.8 t -91.19 109.16 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -153.11 105.89 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 64.02 36.53 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 60.78 23.93 61.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -116.28 169.49 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -110.03 73.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 152' ' ' TYR . 34.3 mt -40.06 119.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 72.7 mt -100.25 104.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 149' ' ' PHE . 12.1 t -95.88 129.38 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -131.94 167.61 19.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.452 ' HB2' HD11 ' A' ' 146' ' ' ILE . 5.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 pt -138.34 161.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.77 130.99 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.832 ' CG1' HD21 ' A' ' 102' ' ' LEU . 19.1 t -104.57 91.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.28 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.619 ' O ' HD23 ' A' ' 159' ' ' LEU . 28.4 t30 71.11 48.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.832 HD21 ' CG1' ' A' ' 99' ' ' VAL . 80.9 mt -82.53 155.36 68.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.8 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.581 ' H ' ' NE2' ' A' ' 104' ' ' GLN . 1.4 pm0 -87.96 -26.05 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.9 p-10 -117.11 39.0 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.559 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.2 t -65.0 143.7 57.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 6.3 m-80 -153.0 156.78 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' VAL . 48.5 t -59.0 -62.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' CYS . 28.1 mm-40 -34.99 -42.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.77 -48.17 81.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' CYS . 82.2 t -71.34 -53.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.75 -56.99 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -61.97 -46.34 89.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.99 -39.93 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 22.4 mt -98.66 46.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -69.04 -32.13 71.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -58.64 -42.52 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 15.1 m-85 -95.34 149.04 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.53 121.26 25.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -94.91 163.48 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -133.52 -44.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.15 130.21 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -129.81 102.73 6.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.79 125.44 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.9 t70 -119.23 90.55 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -59.44 -43.01 93.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.17 -43.57 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -109.52 2.22 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 126' ' ' ASP . 50.7 mtm-85 50.99 51.76 16.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 93.5 m -142.17 126.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.0 119.52 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -88.34 117.11 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.1 t -111.04 137.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 m -113.58 102.34 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.827 HD12 ' HB2' ' A' ' 142' ' ' ALA . 76.0 mt -74.02 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -72.07 -50.1 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -136.15 168.15 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -70.58 -53.67 12.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -38.05 -45.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.324 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.79 -43.73 90.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.827 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.68 -50.6 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 146' ' ' ILE . 33.5 mm-40 -35.19 -40.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -86.31 -58.42 2.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -39.98 -36.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 163' ' ' LEU . 36.7 mt -48.03 -64.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -71.0 -48.67 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 2.8 mtt -47.66 -31.13 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.521 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -105.28 -26.01 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 16.7 t60 -42.01 135.43 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.1 pt20 48.37 35.94 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.9 t80 -69.49 156.34 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.46 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 1.7 t -76.91 105.86 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 159' ' ' LEU . 22.2 t80 -144.78 105.66 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.423 ' NH2' ' OD2' ' A' ' 105' ' ' ASP . 31.0 mtt-85 56.2 35.78 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.83 70.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -114.45 144.66 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.312 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -91.65 64.9 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 101' ' ' ASN . 79.1 mt -38.93 122.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 78.4 mt -93.14 101.76 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.9 t -96.95 130.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -138.66 174.81 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.1 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.533 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 28.1 pt -142.09 158.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.7 mt -106.69 125.31 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 99' ' ' VAL . 34.5 t -97.4 87.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -96.19 163.25 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 72.59 42.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.642 HD22 ' OG ' ' A' ' 106' ' ' SER . 40.9 mt -87.78 157.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -81.65 -35.8 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.489 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 14.6 t70 -104.16 32.92 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.642 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.3 t -66.24 152.1 45.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 4.3 m-80 -158.22 166.33 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.591 ' N ' HG21 ' A' ' 125' ' ' VAL . 10.4 t -62.82 -60.12 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 39.6 tp60 -34.78 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.63 -48.65 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' CYS . 98.6 t -68.11 -53.47 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.2 t-160 -39.43 -61.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.5 -39.96 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.64 -45.15 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.646 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 37.4 mt -101.87 39.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -62.34 -48.14 81.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -39.39 -47.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -87.82 154.54 20.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.64 129.48 34.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 115' ' ' LEU . 8.3 mp -107.0 117.69 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -89.72 -48.17 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -147.29 146.93 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.75 129.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -124.07 102.68 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.591 HG21 ' N ' ' A' ' 108' ' ' CYS . 91.9 t -88.6 125.63 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -119.41 90.01 3.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -51.44 -46.7 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.7 -45.28 28.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 130' ' ' ARG . 21.3 mmtp -103.98 15.06 29.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER 33.62 54.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.9 m -146.44 141.74 27.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.02 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.67 113.89 26.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.4 t -106.58 134.1 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.3 m -109.25 104.78 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 142' ' ' ALA . 74.3 mt -82.01 177.85 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.47 -51.44 43.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -140.03 178.57 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.01 -53.63 5.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' GLY . 18.3 mt-10 -36.13 -38.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -68.68 -46.14 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.582 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.36 -52.48 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 20.4 mm-40 -34.98 -32.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.8 m-80 -92.4 -62.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -37.01 -38.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.466 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 47.5 mt -50.36 -65.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.24 -54.0 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 14.5 mtt -42.66 -38.8 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.646 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 6.0 m-85 -95.86 -26.99 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 151' ' ' GLN . 15.5 t60 -45.16 126.85 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.555 ' HG2' ' CE1' ' A' ' 150' ' ' HIS . 6.9 mm100 66.93 43.05 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.487 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.9 t80 -86.72 160.54 18.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.487 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.7 t -86.95 109.94 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -151.93 112.31 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 54.8 42.7 30.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.03 55.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -122.89 157.32 32.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -104.71 79.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 102' ' ' LEU . 92.1 mt -46.32 125.41 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 88.4 mt -103.33 111.01 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 10.4 t -99.32 129.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -135.03 176.66 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.0 pt -125.87 160.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.178 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.2 mt -106.06 134.5 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.666 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 15.6 t -101.64 93.84 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -107.72 161.3 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.634 ' HB2' HD12 ' A' ' 160' ' ' ILE . 22.0 t30 71.8 43.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.617 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -84.0 156.36 63.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.9 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.361 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.1 pm0 -87.56 -29.87 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.9 m-20 -108.81 32.47 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.617 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.3 t -63.7 147.18 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 37.2 m-80 -160.54 162.73 33.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.461 ' N ' HG21 ' A' ' 125' ' ' VAL . 47.9 t -60.93 -56.77 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -38.4 -39.18 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.15 -48.08 66.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -66.27 -54.25 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -39.52 -60.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -56.41 -38.83 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.54 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 149' ' ' PHE . 78.1 mt -91.27 45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -66.29 -36.55 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 116' ' ' LYS . 22.7 m-20 -52.81 -44.98 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.95 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 4.9 m-85 -94.98 160.15 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.22 108.11 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.94 122.31 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -89.46 -34.85 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -160.92 139.7 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.77 129.51 38.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -133.52 103.2 5.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.9 t -88.38 130.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -114.76 114.81 26.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER -83.96 23.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.418 ' HA ' ' NH2' ' A' ' 127' ' ' ARG . 31.4 t30 -98.69 -54.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -117.02 10.63 14.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 62.6 43.04 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.9 m -123.32 133.83 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.666 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -124.05 125.4 44.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.32 117.35 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.21 129.88 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 90.6 m -108.68 116.36 31.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.894 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.8 mt -85.96 177.62 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.9 -58.15 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.55 152.25 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.87 54.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -45.23 -44.79 11.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.356 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -53.7 -40.78 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.894 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.19 -54.08 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 146' ' ' ILE . 79.5 mm-40 -35.46 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -85.44 -60.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.95 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.36 -45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 163' ' ' LEU . 47.0 mt -42.77 -63.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -68.93 -57.36 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.7 mmt -41.24 -33.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 152' ' ' TYR . 11.7 m-85 -104.28 -22.43 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 146' ' ' ILE . 13.4 t60 -42.99 148.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 151' ' ' GLN . 0.0 OUTLIER 32.74 42.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.557 ' CE2' ' O ' ' A' ' 153' ' ' SER . 10.5 t80 -76.59 161.51 28.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.557 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 9.3 t -77.32 106.04 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.485 ' CG ' HD11 ' A' ' 159' ' ' LEU . 64.6 t80 -148.97 122.67 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 46.82 45.73 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 54.41 27.22 40.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -126.88 173.35 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 77.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.485 HD11 ' CG ' ' A' ' 154' ' ' PHE . 56.2 mt -44.19 129.62 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 101' ' ' ASN . 83.6 mt -101.0 113.56 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 146' ' ' ILE . 21.3 t -102.26 130.03 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -134.38 179.0 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 146' ' ' ILE . 3.8 mm? . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 pt -135.16 154.82 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.54 128.79 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.564 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -99.81 96.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -105.06 160.67 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.9 t30 72.34 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.766 HD22 ' OG ' ' A' ' 106' ' ' SER . 58.0 mt -90.33 155.84 46.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -163.32 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -86.41 -35.44 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.0 m-20 -107.29 36.05 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.766 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.7 t -68.74 138.95 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 5.7 m-80 -154.63 168.46 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.8 m -66.94 -55.3 15.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.2 mm-40 -34.23 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' CYS . 5.8 tp10 -81.44 -57.19 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.5 t -47.9 -48.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.704 ' CD2' HD22 ' A' ' 120' ' ' LEU . 11.4 t-80 -44.13 -63.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -50.07 -44.12 51.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 63.2 tp -57.49 -47.36 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.612 ' O ' HD11 ' A' ' 120' ' ' LEU . 29.4 mt -98.52 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 17.8 ptmt -66.48 -46.41 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 9.4 m-20 -44.58 -46.0 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 20.3 m-85 -86.71 163.61 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -89.74 126.43 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 112' ' ' HIS . 6.9 mp -100.13 127.83 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.609 ' HD3' HG22 ' A' ' 135' ' ' THR . 6.5 mtpm? -102.14 -47.86 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -148.28 140.16 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.11 128.42 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -130.61 105.46 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' SG ' ' A' ' 108' ' ' CYS . 94.9 t -83.75 128.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.15 97.2 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 9.1 mmp_? -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -45.69 -43.64 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -112.61 14.1 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 39.57 54.79 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.9 m -144.88 140.0 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.91 123.28 40.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.67 118.1 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.55 127.97 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.609 HG22 ' HD3' ' A' ' 121' ' ' LYS . 92.9 m -104.09 117.58 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 142' ' ' ALA . 98.2 mt -88.72 173.63 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.459 ' HB3' ' NE2' ' A' ' 141' ' ' GLN . 45.0 tp -69.45 -68.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -115.31 164.38 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -64.6 -56.81 14.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 139' ' ' GLY . 15.9 tt0 -34.87 -49.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.459 ' NE2' ' HB3' ' A' ' 137' ' ' LEU . 9.8 mt-30 -51.61 -47.16 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.69 -52.12 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 142' ' ' ALA . 1.8 mp0 -34.79 -40.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 146' ' ' ILE . 13.8 m-80 -89.41 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.24 -26.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 144' ' ' ASN . 56.9 mt -61.81 -72.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.31 -41.5 89.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 148' ' ' MET . 0.9 OUTLIER -48.49 -41.93 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.11 -25.94 15.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -41.27 128.38 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 62.63 47.33 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 153' ' ' SER . 49.9 t80 -93.04 154.83 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.556 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.1 t -73.15 117.56 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 159' ' ' LEU . 10.6 t80 -151.98 107.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 51.89 35.04 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.86 -14.42 31.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -94.23 157.14 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.16 90.53 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 154' ' ' PHE . 88.8 mt -46.97 124.19 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.8 mm -99.69 107.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.23 129.0 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -129.45 164.05 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.8 pt -151.26 156.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.1 mt -103.86 126.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.624 ' O ' HG12 ' A' ' 99' ' ' VAL . 12.2 t -102.27 90.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 160' ' ' ILE . 20.6 t30 72.52 51.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.461 HD21 HG11 ' A' ' 99' ' ' VAL . 33.5 mt -90.06 157.69 45.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -90.78 -32.24 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -106.23 33.38 3.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.405 ' OG ' HD22 ' A' ' 102' ' ' LEU . 33.4 t -62.89 148.61 46.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 39.5 m-80 -160.73 162.42 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.22 -55.44 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -40.73 -41.05 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.4 -47.86 77.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.12 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -40.63 -67.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.5 -46.24 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' CD1' ' CE2' ' A' ' 152' ' ' TYR . 51.4 tp -51.72 -48.76 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.844 HD23 ' CE2' ' A' ' 149' ' ' PHE . 40.0 mt -99.42 28.65 4.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -51.23 -45.39 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -44.73 -44.37 9.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.6 m-85 -94.52 165.08 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.64 128.51 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.45 122.68 44.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -94.86 -40.61 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -148.31 138.33 22.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 8.0 p -137.52 125.8 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -127.85 98.94 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.97 128.33 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.95 110.86 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -73.69 -44.34 56.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -49.42 -41.61 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -113.45 14.72 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' LYS . 61.5 mtm-85 35.9 54.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.1 m -137.92 137.17 37.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.3 118.74 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.69 115.79 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.87 137.4 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.7 m -112.98 101.7 9.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 142' ' ' ALA . 88.1 mt -72.62 -179.22 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 24.0 tp -80.46 -59.48 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -117.57 152.12 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.14 -51.62 55.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 36.4 tt0 -42.35 -43.06 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -58.63 -42.15 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.709 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -63.93 -56.43 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 146' ' ' ILE . 2.0 mp0 -35.74 -38.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 32.3 m-80 -87.23 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -36.57 -44.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 143' ' ' GLN . 20.4 mt -47.27 -54.89 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 148' ' ' MET . 4.1 tt0 -71.37 -62.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 147' ' ' GLN . 6.9 mmm -38.2 -35.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.844 ' CE2' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -92.66 -39.47 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.3 t60 -38.43 131.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.585 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 32.5 mt-30 63.63 42.97 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 153' ' ' SER . 19.5 t80 -89.73 155.42 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 15.3 t -84.82 110.4 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -149.67 108.12 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 63.98 36.49 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 64.32 18.56 63.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -115.77 173.15 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.47 84.07 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.409 HD21 HD23 ' A' ' 102' ' ' LEU . 69.1 mt -48.4 131.86 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.8 mt -107.2 101.23 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.5 t -96.35 124.02 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.93 171.62 14.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.437 HD12 ' CG1' ' A' ' 161' ' ' VAL . 39.4 pt -139.26 152.93 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.85 133.49 52.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 20.7 t -105.77 88.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -89.74 162.61 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.0 t30 72.97 49.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 99' ' ' VAL . 38.6 mt -97.43 157.34 34.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.18 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -94.76 -22.47 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.3 34.72 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -66.85 150.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -156.99 161.68 39.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.21 -50.26 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -38.45 -32.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 154' ' ' PHE . 4.1 tp10 -80.55 -51.71 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' HIS . 95.3 t -60.84 -55.04 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' VAL . 15.5 t-80 -34.61 -49.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.22 -48.39 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 111' ' ' VAL . 21.5 tp -50.34 -53.15 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -93.73 30.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -52.98 -44.95 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -51.52 -48.52 62.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 14.1 m-85 -84.55 148.83 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -76.54 142.12 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.77 116.83 30.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -89.65 -35.3 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -158.11 137.41 11.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.9 p -139.87 128.97 23.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.99 111.75 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.2 t -98.39 127.96 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.84 89.1 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.28 -24.61 29.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' ARG . 51.1 mttt -117.07 17.51 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' LYS . 3.4 mpt_? 33.43 54.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.5 m -149.69 128.13 12.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.8 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.78 117.37 30.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.92 137.88 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.3 m -116.94 101.58 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 142' ' ' ALA . 73.4 mt -75.1 -179.35 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.55 -67.54 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -124.25 179.54 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.66 -52.28 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -39.33 -39.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.39 -45.28 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.67 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.25 -50.13 64.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' ' 146' ' ' ILE . 17.6 mm-40 -37.22 -33.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 142' ' ' ALA . 47.9 m-80 -92.77 -59.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -40.41 -42.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.547 HG22 ' OE1' ' A' ' 147' ' ' GLN . 19.3 mt -44.74 -61.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.547 ' OE1' HG22 ' A' ' 146' ' ' ILE . 3.1 mp0 -71.26 -49.29 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.8 mmt -50.09 -20.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -122.38 -10.98 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 5.6 t60 -51.08 139.05 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 9.3 pt20 43.96 51.95 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 153' ' ' SER . 11.0 t80 -86.05 159.04 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.574 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 10.5 t -74.44 107.62 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.617 ' CD1' HD11 ' A' ' 159' ' ' LEU . 22.3 t80 -133.53 102.85 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 47.62 35.14 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.82 -26.23 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -86.18 146.54 26.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -97.92 102.11 13.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 154' ' ' PHE . 23.5 mt -58.25 129.25 41.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.02 104.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 146' ' ' ILE . 2.7 t -94.29 126.42 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.94 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.489 HD11 ' NE2' ' A' ' 143' ' ' GLN . 33.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -138.01 157.14 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.37 132.93 50.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 99' ' ' VAL . 19.1 t -109.49 88.02 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -94.12 165.49 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 68.84 52.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 106' ' ' SER . 45.1 mt -97.03 156.37 36.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -174.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.25 -31.77 33.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 5.1 t0 -103.57 26.06 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.7 t -59.29 141.33 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 20.2 m-80 -152.3 165.53 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 12.9 t -63.79 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 10.6 tt0 -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.62 -53.89 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.4 -49.21 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.32 -59.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.39 -41.85 85.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.44 -39.96 77.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.82 40.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 11.6 ptpt -62.39 -48.34 80.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 5.1 m-20 -41.87 -46.64 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 19.3 m-85 -88.3 162.03 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.81 125.8 36.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.22 131.97 44.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 137' ' ' LEU . 1.3 mptp? -103.13 -49.4 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -143.91 136.34 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -132.13 129.14 39.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -132.16 98.02 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.67 126.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.7 m-20 -119.04 92.32 3.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -60.05 -43.49 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -46.76 -34.32 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -123.1 14.27 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 126' ' ' ASP . 61.1 mtm180 38.59 54.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.6 m -142.68 117.73 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.5 125.04 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -92.37 119.64 32.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.45 132.84 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.7 m -110.3 106.79 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.957 HD12 ' HB2' ' A' ' 142' ' ' ALA . 53.0 mt -79.25 176.96 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 121' ' ' LYS . 20.6 tp -67.31 -62.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' CB ' ' OE2' ' A' ' 140' ' ' GLU . 86.0 m-20 -121.24 171.44 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.42 -47.05 11.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 141' ' ' GLN . 24.4 pm0 -47.19 -33.86 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.462 ' N ' ' HG2' ' A' ' 140' ' ' GLU . 5.6 mt-30 -69.9 -41.06 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.21 -49.39 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' ALA . 42.0 mm-40 -35.43 -33.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 142' ' ' ALA . 56.7 m-80 -95.74 -57.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.18 -22.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.59 HD13 HD22 ' A' ' 163' ' ' LEU . 38.8 mt -71.21 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -60.16 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 68.5 mmm -56.14 -51.89 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -87.52 -17.19 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.9 t60 -49.25 127.55 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 69.8 mt-30 66.0 45.27 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -97.32 149.57 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 25.4 t -74.05 120.85 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -153.75 106.96 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 64.05 27.2 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.4 -29.39 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -87.11 163.86 16.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -107.64 102.72 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.9 mt -56.07 128.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 28.0 mm -105.94 104.0 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.21 127.62 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -142.04 172.95 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 146' ' ' ILE . 4.3 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.572 HD12 ' CG1' ' A' ' 161' ' ' VAL . 36.3 pt -144.21 159.89 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.68 141.9 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 102' ' ' LEU . 24.9 t -112.4 87.32 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -93.9 162.55 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 160' ' ' ILE . 28.7 t30 72.53 43.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 HG11 ' A' ' 99' ' ' VAL . 49.1 mt -84.84 156.65 61.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.81 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -89.71 -31.81 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.7 p-10 -108.26 35.33 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 28.5 t -63.51 156.29 26.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 48.6 m-80 -161.64 162.37 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 109' ' ' GLN . 44.0 t -70.97 -61.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.5 tp60 -34.32 -40.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.77 -52.62 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 108' ' ' CYS . 86.7 t -61.17 -53.34 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.547 ' HA ' HD22 ' A' ' 120' ' ' LEU . 10.8 t-80 -37.77 -54.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.05 -43.79 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.726 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 29.4 mt -95.89 29.45 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -41.53 40.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -45.55 -51.13 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -94.61 157.3 16.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.09 135.68 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.547 HD22 ' HA ' ' A' ' 112' ' ' HIS . 6.4 mp -108.9 120.52 42.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -88.29 -56.08 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -137.12 139.68 41.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.07 126.78 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -124.25 101.47 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.26 127.06 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' ARG . 9.5 m-20 -120.03 95.85 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -58.59 -42.74 88.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -50.85 -39.66 54.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 130' ' ' ARG . 19.7 mttm -113.59 15.89 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 129' ' ' LYS . 1.6 mpp_? 33.72 55.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.495 ' CA ' HD12 ' A' ' 102' ' ' LEU . 74.0 m -142.28 133.1 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -119.85 126.42 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -93.52 113.3 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.24 123.6 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.4 m -101.12 103.02 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.732 HD12 ' HB2' ' A' ' 142' ' ' ALA . 78.1 mt -76.25 172.74 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.7 -59.04 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -117.56 157.92 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.22 65.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -43.24 -46.59 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.16 -47.03 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.732 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.05 -49.43 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 63.1 mm-40 -34.89 -40.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 143' ' ' GLN . 34.4 mt -60.98 -67.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.54 -44.32 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 18.9 mtp -45.62 -42.68 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.726 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -93.48 -33.62 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' PHE . 68.5 t60 -36.97 125.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 66.94 40.8 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 153' ' ' SER . 40.7 t80 -84.71 161.95 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 1.7 t -86.38 110.38 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -152.6 114.66 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 52.52 40.52 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.54 24.99 57.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -119.49 166.32 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.28 69.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 84.5 mt -38.04 125.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.457 HD12 ' HB2' ' A' ' 101' ' ' ASN . 26.1 mt -101.38 106.53 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 97' ' ' ILE . 3.8 t -95.92 134.16 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.87 172.07 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 146' ' ' ILE . 23.7 pt -143.73 151.94 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.4 mt -105.95 127.14 52.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.6 t -96.63 94.94 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -101.12 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.442 ' HB2' HD12 ' A' ' 160' ' ' ILE . 37.5 t30 69.24 53.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 99' ' ' VAL . 85.4 mt -91.59 153.69 44.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -164.78 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -87.97 -26.49 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -111.99 33.31 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.646 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -70.07 145.33 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -160.08 169.08 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -59.44 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 92.4 mm-40 -34.99 -40.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.95 -53.69 50.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -46.36 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -40.48 -63.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.37 -46.08 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.05 -45.27 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.45 41.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.5 ptmm? -64.13 -43.82 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 25.8 t0 -48.08 -45.62 32.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -90.23 148.31 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.6 127.53 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.03 125.03 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -88.56 -40.8 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.75 134.69 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.5 t -130.29 118.74 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.62 118.69 23.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.0 t -95.03 132.38 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -118.98 89.81 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -59.04 -41.47 87.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.79 -42.81 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -112.31 13.05 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 41.59 53.95 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.3 m -147.98 132.76 17.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -116.42 128.83 55.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.39 122.38 34.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.58 125.99 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.2 m -105.93 101.84 11.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.849 HD12 ' HB2' ' A' ' 142' ' ' ALA . 91.4 mt -70.74 -179.83 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.45 -61.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -121.69 175.56 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.77 -56.98 3.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -37.68 -37.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -66.41 -46.03 77.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.849 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.59 -52.2 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' ALA . 27.8 mm-40 -35.13 -34.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 142' ' ' ALA . 5.4 m-80 -94.55 -54.54 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.73 -30.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 97' ' ' ILE . 32.6 mt -60.09 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -64.83 -44.03 91.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 mtt -49.76 -34.25 18.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -105.86 -18.07 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 9.4 t60 -48.49 128.91 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 25.0 mt-30 65.2 42.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -92.97 150.29 20.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.42 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 23.2 t -76.58 124.72 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.49 ' CG ' HD11 ' A' ' 159' ' ' LEU . 14.2 t80 -156.08 106.41 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 64.85 26.51 12.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.73 -25.05 14.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -88.99 156.64 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.99 95.9 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 154' ' ' PHE . 52.1 mt -54.47 125.31 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.9 mt -103.23 106.04 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.68 126.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -131.51 174.63 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 24.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 40.3 pt -140.29 152.17 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 mt -103.2 131.68 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 102' ' ' LEU . 20.0 t -102.16 100.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -106.83 156.99 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.623 ' HB2' HD12 ' A' ' 160' ' ' ILE . 17.0 t30 74.96 47.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' OG ' ' A' ' 106' ' ' SER . 37.7 mt -88.66 157.33 49.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.413 ' CB ' ' HD3' ' A' ' 155' ' ' ARG . 53.7 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.94 -37.37 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.4 t70 -100.24 31.7 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.569 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -68.36 150.96 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 14.0 m-80 -162.64 167.43 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.7 m -70.81 -58.83 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' CYS . 15.1 mt-30 -33.97 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 108' ' ' CYS . 10.3 tp10 -76.45 -48.77 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 108' ' ' CYS . 97.2 t -63.21 -47.27 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.1 t-160 -38.39 -60.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -57.93 -42.64 85.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.9 -49.37 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 120' ' ' LEU . 31.3 mt -95.3 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 20.9 pttp -68.62 -42.9 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 38.3 m-20 -48.62 -47.94 39.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -89.32 166.62 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.13 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 115' ' ' LEU . 7.0 mp -113.49 122.19 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -94.06 -43.12 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 124' ' ' TYR . 76.4 t80 -147.51 135.28 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.8 t -132.79 105.7 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.577 ' HB2' ' CE2' ' A' ' 122' ' ' TYR . 79.5 t80 -117.24 112.5 20.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 108' ' ' CYS . 59.1 t -101.52 139.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.54 137.36 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -29.12 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.02 -33.27 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -102.66 -5.4 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 43.31 45.86 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 75.9 m -134.62 139.2 45.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.57 118.17 29.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.25 117.99 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.93 118.88 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.6 m -97.89 106.88 19.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 142' ' ' ALA . 92.4 mt -77.24 174.71 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 138' ' ' ASN . 54.7 tp -72.14 -58.82 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.434 HD21 ' CD2' ' A' ' 137' ' ' LEU . 8.5 m-80 -118.75 169.0 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.79 -50.48 7.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -44.86 -34.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -63.11 -44.5 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.24 -49.12 46.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.742 HE22 HD21 ' A' ' 163' ' ' LEU . 8.3 mm-40 -36.46 -38.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -88.71 -61.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.42 -45.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.49 ' HA ' HG11 ' A' ' 161' ' ' VAL . 34.3 mt -44.25 -59.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' MET . 5.0 tt0 -69.85 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 147' ' ' GLN . 13.8 mmt -38.03 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' HIS . 3.1 m-85 -90.88 -40.03 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -37.54 124.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 66.22 41.72 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.505 ' CG ' ' N ' ' A' ' 153' ' ' SER . 38.4 t80 -90.01 162.43 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 6.9 t -82.8 103.36 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.424 ' CG ' HD11 ' A' ' 159' ' ' LEU . 40.4 t80 -142.54 107.79 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.413 ' HD3' ' CB ' ' A' ' 103' ' ' PRO . 23.8 mtp85 55.13 42.75 30.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 55.86 27.29 49.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -118.95 174.93 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -115.67 76.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 154' ' ' PHE . 75.1 mt -46.14 125.14 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 101' ' ' ASN . 61.7 mt -103.67 105.98 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 146' ' ' ILE . 14.3 t -97.44 128.86 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.65 175.13 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.742 HD21 HE22 ' A' ' 143' ' ' GLN . 15.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 HG13 ' A' ' 161' ' ' VAL . 44.0 pt -142.78 161.5 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.1 mt -108.52 132.96 53.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.845 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 19.1 t -99.28 92.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 72.03 48.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.732 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -88.88 156.53 49.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.228 . . . . 0.0 112.36 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -84.93 -28.22 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.1 t70 -114.64 37.97 3.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.732 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -69.24 153.92 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 106' ' ' SER . 31.5 m-80 -162.22 168.18 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.459 ' N ' HG21 ' A' ' 125' ' ' VAL . 20.4 t -63.82 -61.17 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 45.0 mm-40 -34.73 -41.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.75 -51.51 66.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 112' ' ' HIS . 85.2 t -68.41 -55.43 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' VAL . 44.2 t-80 -35.59 -60.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.86 -42.27 79.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.67 -52.01 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.834 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 27.0 mt -86.49 26.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -49.62 -49.92 45.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -40.94 -47.47 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 2.3 m-85 -91.23 146.76 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.51 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 112' ' ' HIS . 6.8 mp -95.26 130.2 42.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -100.59 -38.32 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -161.0 136.86 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -131.33 129.0 40.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -127.98 101.48 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.3 t -86.73 121.09 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.11 89.13 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -54.51 -42.98 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -43.41 -45.04 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -112.03 14.99 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 41.11 47.37 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.2 m -133.02 136.16 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.845 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -121.58 113.42 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -81.76 106.56 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -106.9 132.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 94.7 m -112.28 103.33 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.78 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -74.4 178.68 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.5 tp -71.61 -58.54 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -127.47 177.21 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -75.81 -54.47 5.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.3 mm-40 -36.97 -44.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.61 -47.99 82.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.78 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.92 -53.03 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 142' ' ' ALA . 9.9 mm-40 -34.98 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.9 m-80 -95.35 -59.98 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.89 -31.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.57 -58.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.56 -35.43 80.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.4 mtp -68.42 -54.76 14.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.834 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 4.6 m-85 -65.65 -48.08 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.531 ' CE1' HE21 ' A' ' 151' ' ' GLN . 36.0 t60 -31.76 127.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.531 HE21 ' CE1' ' A' ' 150' ' ' HIS . 32.7 mm-40 68.22 40.09 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 153' ' ' SER . 35.2 t80 -87.26 160.12 18.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 10.5 t -91.3 103.66 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -145.15 110.74 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 58.34 45.66 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 53.31 28.35 34.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -128.69 155.65 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.52 77.58 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 65.4 mt -44.59 126.48 5.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 37.0 mm -99.85 117.29 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 97' ' ' ILE . 20.5 t -106.85 128.64 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -131.4 172.82 11.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 pt -139.23 154.16 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.35 131.39 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.57 HG11 HD21 ' A' ' 102' ' ' LEU . 17.9 t -99.57 97.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -108.68 156.55 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.0 t30 74.11 48.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.686 HD22 ' OG ' ' A' ' 106' ' ' SER . 46.5 mt -88.51 156.65 50.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -90.05 -31.08 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.3 m-20 -108.9 35.15 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.686 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.3 t -71.11 151.36 44.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 1.7 m-80 -157.92 156.64 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 111' ' ' VAL . 40.8 t -63.52 -58.94 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' CYS . 66.6 mt-30 -34.91 -36.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' CYS . 6.5 tp10 -72.96 -48.41 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' CYS . 89.8 t -63.0 -40.71 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -47.68 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -52.3 -41.65 63.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.46 -53.76 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 39.9 mt -88.01 39.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 25.3 pttm -61.82 -45.22 94.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 45.9 m-20 -46.23 -46.09 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.436 ' O ' HD12 ' A' ' 120' ' ' LEU . 5.9 m-85 -91.59 143.19 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.78 120.96 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 118' ' ' TYR . 7.0 mp -94.42 128.82 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -96.38 -44.39 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 145.74 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.73 131.28 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -138.5 111.28 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 132' ' ' ALA . 69.9 t -91.99 144.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.44 148.79 38.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -103.96 -24.64 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -74.26 -44.61 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' ARG . 42.6 mttt -112.68 14.53 20.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' LYS . 29.7 mmm180 36.2 51.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 m -129.36 142.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 125' ' ' VAL . . . -122.31 127.75 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.03 124.1 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.01 135.17 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 91.5 m -109.12 106.17 15.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.0 mt -77.23 179.0 6.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 46.2 tp -82.74 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -111.76 153.38 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.63 -47.36 77.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.81 -34.92 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.92 -44.95 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -65.76 -51.1 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 146' ' ' ILE . 66.1 mm-40 -35.02 -41.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.97 -56.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.92 -27.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 163' ' ' LEU . 33.1 mt -58.71 -64.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -71.72 -42.63 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 19.5 mmm -47.13 -33.96 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 5.7 m-85 -100.85 -41.33 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -34.74 126.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.74 48.96 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' TYR . . . . . 0.453 ' CG ' ' N ' ' A' ' 153' ' ' SER . 37.7 t80 -91.63 160.66 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 30.8 t -85.52 99.74 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -145.85 114.42 6.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 55.77 41.53 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.36 13.13 14.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -108.58 170.67 7.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.78 77.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 102' ' ' LEU . 75.1 mt -44.87 118.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 82.8 mt -94.54 104.16 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.615 HG21 ' CB ' ' A' ' 149' ' ' PHE . 20.3 t -97.06 127.46 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -132.55 175.54 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.669 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.0 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -120.0 -55.04 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -68.03 148.62 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.49 -175.76 14.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.5 m -75.59 81.42 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 m -86.78 82.15 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . 171.34 152.19 8.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 38.0 pt -140.54 157.48 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.1 mt -108.59 127.38 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' A' ' 102' ' ' LEU . 21.2 t -96.86 97.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -104.42 170.05 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.761 ' HB2' HD12 ' A' ' 160' ' ' ILE . 18.4 t30 60.35 52.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' A' ' 99' ' ' VAL . 60.7 mt -91.92 152.96 43.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -168.04 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -86.81 -28.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -105.1 24.16 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.7 t -65.81 140.14 58.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -152.97 166.3 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.33 -52.4 62.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -41.07 -33.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.81 -44.9 19.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.56 -51.91 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.419 ' HA ' HD22 ' A' ' 120' ' ' LEU . 1.9 t-160 -46.58 -55.94 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -39.74 81.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.7 tp -56.62 -51.11 69.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 97' ' ' ILE . 38.3 mt -91.65 43.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -41.63 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -49.86 -42.28 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.737 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 30.4 m-85 -93.59 163.57 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.05 112.01 23.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.2 mp -86.1 139.29 31.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -105.54 -37.99 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -154.34 150.19 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -140.4 129.33 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -131.1 98.95 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.9 t -83.28 129.19 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.6 t0 -119.88 88.96 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -54.55 -48.47 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -45.87 9.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -109.53 14.19 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 126' ' ' ASP . 67.8 mtm-85 38.23 53.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.6 m -138.07 130.98 29.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -120.09 114.19 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.66 117.74 23.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -113.19 136.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.6 m -110.48 99.38 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 142' ' ' ALA . 75.5 mt -71.37 -178.1 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.1 tp -77.68 -64.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -115.52 165.59 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.99 -50.39 29.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.6 -44.69 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -53.34 -47.0 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -62.96 -57.84 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.548 HE22 HD11 ' A' ' 163' ' ' LEU . 10.0 mm-40 -35.16 -32.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 142' ' ' ALA . 2.6 m-80 -95.73 -56.95 2.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.737 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -42.97 -34.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 150' ' ' HIS . 58.5 mt -53.41 -68.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.82 -41.4 87.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 8.0 mmt -55.58 -26.71 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.07 -10.92 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 7.1 t60 -52.57 139.72 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.8 pt20 45.68 32.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.473 ' CG ' ' N ' ' A' ' 153' ' ' SER . 30.8 t80 -66.21 160.01 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 2.3 t -80.65 110.46 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -151.42 109.81 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? 58.47 42.26 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 61.97 15.6 49.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.02 171.13 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -114.64 83.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 152' ' ' TYR . 95.5 mt -47.87 116.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.761 HD12 ' HB2' ' A' ' 101' ' ' ASN . 63.0 mt -93.76 117.16 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 146' ' ' ILE . 3.8 t -106.78 131.44 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -132.49 175.99 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.548 HD11 HE22 ' A' ' 143' ' ' GLN . 12.2 mt -83.24 165.88 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.413 ' HG3' ' C ' ' A' ' 96' ' ' GLY . 14.2 mt-30 -83.98 159.21 60.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 166' ' ' THR . 54.2 Cg_endo -69.75 -25.21 28.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 165' ' ' PRO . 98.5 m -34.17 96.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 165' ' ' PRO . 3.4 p30 -125.95 161.91 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -98.2 33.13 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 14.9 tp 46.85 50.54 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 170' ' ' LEU . 0.3 OUTLIER -98.87 84.33 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 26.3 p -53.06 -46.43 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 9.2 m -143.64 176.1 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -156.6 66.76 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.6 36.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.226 . . . . 0.0 112.361 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 24.8 t -42.29 105.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 53.5 p 46.3 42.77 10.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.448 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 m -70.99 124.44 24.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.838 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 m -144.36 174.42 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -57.53 138.67 47.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.2 p -105.15 143.58 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 110.808 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -64.72 163.24 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.85 117.43 3.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 pt -128.92 150.09 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.84 HD11 ' HD3' ' A' ' 165' ' ' PRO . 67.6 mt -104.59 133.08 50.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.839 ' CG1' HD21 ' A' ' 102' ' ' LEU . 18.6 t -102.71 95.73 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 162' ' ' GLN . 65.5 mttt -101.13 157.33 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t30 74.07 51.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.839 HD21 ' CG1' ' A' ' 99' ' ' VAL . 82.9 mt -93.05 153.84 41.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -166.16 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -92.21 -8.7 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.3 p30 -122.53 22.93 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.57 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.8 t -58.46 138.0 56.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 46.1 m-80 -150.4 162.37 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLN . 37.8 t -62.74 -58.16 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' CYS . 35.0 mt-30 -37.66 -38.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.61 -56.76 9.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.409 HG11 HG21 ' A' ' 134' ' ' VAL . 43.4 t -59.94 -51.46 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.514 ' HA ' HD22 ' A' ' 120' ' ' LEU . 3.3 t-160 -41.99 -61.9 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.23 -38.3 82.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.3 -49.0 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.678 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 44.1 mt -98.02 41.32 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.92 -39.39 81.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -49.85 -36.58 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.64 166.57 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.09 119.58 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 112' ' ' HIS . 7.9 mp -92.68 132.12 37.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -100.32 -42.4 6.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -149.38 143.04 25.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.24 136.27 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -140.26 114.19 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.78 129.39 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.73 89.67 3.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -50.45 -38.16 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -50.99 -56.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -97.16 12.32 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 39.26 52.91 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.8 m -139.76 135.94 33.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -118.08 134.16 55.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.64 118.02 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.409 HG21 HG11 ' A' ' 111' ' ' VAL . 66.9 t -118.01 130.42 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 78.2 m -111.2 103.22 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 142' ' ' ALA . 26.2 mt -71.87 -179.11 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 30.0 tp -73.32 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.44 165.48 14.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -72.54 -50.65 14.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 33.5 tt0 -42.44 -35.8 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.41 -37.08 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.691 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -68.1 -50.07 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 146' ' ' ILE . 35.6 mm-40 -41.6 -29.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 23.0 m-80 -93.54 -58.85 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -39.61 -31.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 143' ' ' GLN . 62.7 mt -55.53 -69.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.7 mtt -58.98 -20.5 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.678 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 12.7 m-85 -125.67 -5.98 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -54.76 138.54 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 159' ' ' LEU . 6.5 pt20 41.45 46.58 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 153' ' ' SER . 7.4 t80 -80.03 158.68 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 19.7 t -78.27 97.12 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -128.03 108.66 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 52.45 28.42 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.38 -20.62 39.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -87.58 139.99 29.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -91.41 73.25 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.566 HD22 HD23 ' A' ' 102' ' ' LEU . 26.6 mt -36.98 139.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 32.4 mm -110.21 121.19 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.12 126.31 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.452 ' NE2' ' HD2' ' A' ' 100' ' ' LYS . 7.0 pt20 -140.52 166.82 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.76 157.13 27.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -62.02 154.76 67.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.84 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.74 -9.05 25.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' PRO . 27.6 m -34.54 115.95 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -117.91 123.92 47.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -158.56 119.14 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 13.9 mt -140.4 129.25 23.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 15.9 tp -106.8 106.06 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.7 t -121.35 -57.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 75.5 m -122.37 123.73 42.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 178.95 -174.34 46.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -27.46 26.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 49.1 m -40.64 116.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.0 m -171.1 163.73 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 t -54.6 157.93 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.3 m -92.51 -58.54 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.05 -129.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -155.86 123.16 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.6 p -72.3 161.92 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.446 ' CA ' ' OE1' ' A' ' 164' ' ' GLN . . . 100.02 122.32 4.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.61 150.43 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD2' ' CD2' ' A' ' 133' ' ' PHE . 53.2 mt -106.19 140.04 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.771 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.5 t -108.16 85.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -90.81 178.29 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.4 t30 61.23 45.35 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.752 HD21 ' CG1' ' A' ' 99' ' ' VAL . 72.5 mt -88.36 152.23 49.65 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -164.32 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -92.66 -16.1 25.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 2.7 m-20 -120.72 33.79 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.526 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.6 t -64.07 150.41 45.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 3.3 m-80 -156.83 158.53 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 16.7 t -67.66 -63.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 20.6 tt0 -34.38 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER -67.49 -57.42 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 96.2 t -64.17 -53.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.565 ' CD2' HD22 ' A' ' 120' ' ' LEU . 6.0 t-80 -34.47 -52.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -41.64 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . 9.9 tp -54.87 -45.37 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.54 48.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -71.05 -39.75 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.87 -46.22 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 11.8 m-85 -85.03 148.83 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.34 122.62 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 112' ' ' HIS . 7.0 mp -94.16 148.81 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -121.63 -37.38 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -153.31 124.76 7.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.5 t -120.29 121.42 38.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -134.29 107.23 7.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.3 127.71 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ARG . 8.5 t0 -118.25 90.07 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 128' ' ' ASN . 25.6 ptt180 -58.15 -44.28 87.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 127' ' ' ARG . 38.4 t30 -53.58 -38.53 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 130' ' ' ARG . 23.5 mttt -110.42 11.75 23.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' ASP . 32.3 mtp180 36.29 54.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 94.4 m -145.46 122.87 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -105.87 120.34 41.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 98' ' ' LEU . 51.7 m-85 -86.27 114.75 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -120.29 109.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.9 m -86.4 107.24 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.7 mt -74.21 172.63 11.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.19 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -114.38 165.36 12.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -65.33 -57.94 10.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 139' ' ' GLY . 8.6 tm-20 -35.48 -49.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -52.24 -44.44 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.662 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.18 -59.66 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 139' ' ' GLY . 1.1 mp0 -35.41 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.3 m-80 -95.79 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -37.63 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 144' ' ' ASN . 72.0 mt -62.79 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.93 -40.02 96.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 35.1 mmt -51.56 -39.07 57.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.5 -16.32 16.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.22 132.86 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 62.01 39.54 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -89.64 157.45 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 1.6 t -75.38 120.07 20.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -152.53 109.48 3.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 52.98 26.57 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 89.49 -16.19 56.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -93.31 156.17 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' LEU . 19.5 m-20 -98.89 80.26 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 158' ' ' ASP . 41.8 mt -35.44 132.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.9 mm -107.02 104.13 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -93.3 129.81 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -140.15 -179.37 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 163' ' ' LEU . 2.3 mm? -77.29 164.96 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.446 ' OE1' ' CA ' ' A' ' 96' ' ' GLY . 26.9 mt-30 -106.36 158.94 31.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.84 15.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 55.7 m -135.31 119.33 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.09 100.8 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.92 179.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 169' ' ' LEU . 3.3 pp -115.79 114.37 24.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 68.7 mt 38.7 38.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.3 t -143.33 106.95 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 5.4 t -136.74 134.57 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 41.83 69.02 0.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.53 25.73 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 78.0 p -69.15 167.78 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.3 t -55.6 -57.61 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.0 p -109.86 42.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.9 p -91.98 101.95 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.01 101.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 m -71.58 84.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.7 p -91.03 112.7 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.66 141.67 3.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 pt -137.83 153.39 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -107.87 132.53 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.751 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.0 t -104.24 92.02 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -102.51 162.16 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.2 t30 70.9 51.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.751 HD21 ' CG1' ' A' ' 99' ' ' VAL . 71.9 mt -91.9 155.0 43.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -166.96 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.98 -31.06 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 1.4 m-20 -105.48 29.75 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.533 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.9 t -63.04 140.73 58.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 64.7 m-80 -149.42 172.98 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 11.0 t -71.96 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 27.0 mm-40 -38.18 -39.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 5.9 mp0 -64.08 -48.57 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.34 -42.49 90.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.465 ' CD2' HD22 ' A' ' 120' ' ' LEU . 4.4 m170 -47.08 -63.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.69 -42.65 64.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.2 tp -57.07 -52.18 66.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.473 ' O ' HD11 ' A' ' 120' ' ' LEU . 28.0 mt -94.31 44.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -66.26 -45.87 79.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -43.54 -51.0 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 33.7 m-85 -82.33 174.84 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -110.78 104.72 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 120' ' ' LEU . 4.6 mp -74.19 130.35 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -102.29 -45.69 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -136.17 119.83 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.57 112.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -125.3 105.88 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.88 125.65 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -119.94 89.67 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -57.64 -42.1 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -46.84 -43.01 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -113.63 14.43 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 28.7 mtm-85 39.24 51.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -138.66 125.33 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -114.18 115.48 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -83.06 117.63 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.34 117.56 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -95.24 113.73 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 94.8 mt -81.1 169.13 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.84 -62.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -117.57 176.01 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.63 -50.52 6.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -44.85 -48.1 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -51.02 -41.3 59.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -69.87 -55.38 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' ALA . 96.1 mm-40 -34.93 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 142' ' ' ALA . 61.5 m-80 -94.5 -58.72 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.01 -39.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 150' ' ' HIS . 43.5 mt -50.94 -67.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -65.08 -50.5 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 6.9 mmt -45.74 -39.54 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -96.91 -21.93 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 146' ' ' ILE . 17.4 t60 -48.75 132.38 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.404 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 84.0 mt-30 59.35 46.08 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.52 ' HD2' HD12 ' A' ' 159' ' ' LEU . 47.2 t80 -92.57 148.47 22.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.411 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 31.8 t -74.59 120.43 20.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -156.04 116.82 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 55.14 28.21 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.76 -19.68 23.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -90.66 170.76 9.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -112.9 94.19 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 152' ' ' TYR . 65.6 mt -50.09 119.46 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 77.6 mt -94.9 103.14 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 132.31 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.83 174.5 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 20.3 tp -98.59 155.26 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.421 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 56.5 mt-30 -78.33 143.85 65.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 167' ' ' ASP . 54.0 Cg_endo -69.76 -8.07 22.67 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 99.1 m -39.03 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 165' ' ' PRO . 0.6 OUTLIER -131.99 96.18 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -48.12 154.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 169' ' ' LEU . 2.8 tt -82.87 -24.95 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.94 173.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 3.2 t -139.39 128.43 23.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.2 t -42.34 -48.41 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 73.17 145.75 0.74 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -114.97 169.27 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 44.6 m -153.97 146.72 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.1 p -42.46 156.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.3 p -63.05 145.31 55.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.13 112.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -92.76 114.46 27.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.7 p -75.45 144.86 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.55 149.14 8.4 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.438 HG22 HG12 ' A' ' 146' ' ' ILE . 32.2 pt -149.45 153.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.618 HD21 ' HG2' ' A' ' 164' ' ' GLN . 66.5 mt -106.98 131.08 54.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 24.0 t -106.43 87.92 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -96.7 160.19 14.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.1 t30 73.77 47.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD21 ' CG1' ' A' ' 99' ' ' VAL . 38.4 mt -91.51 156.6 43.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -164.22 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -95.09 -26.91 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.3 m-20 -108.1 30.19 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 5.6 t -62.39 158.16 18.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 42.6 m-80 -162.37 158.46 24.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.71 -56.92 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.16 -37.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.71 -46.68 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.1 -37.11 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -49.17 -60.44 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -44.53 65.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.0 tp -55.25 -46.51 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.95 45.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 -30.01 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 -39.24 75.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.3 m-85 -100.65 159.45 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.97 116.87 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.82 126.18 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -92.81 -55.45 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -133.02 136.13 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -133.36 129.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -136.53 106.53 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.91 127.84 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -119.75 89.95 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -55.83 -41.8 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -47.33 -43.78 23.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -110.4 14.17 22.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 39.97 50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -141.66 133.61 27.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.76 43.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -89.85 121.5 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.03 126.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 65.1 m -105.03 103.21 12.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -71.75 177.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.81 -61.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -123.54 177.37 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -77.57 -57.24 3.63 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.8 mt-10 -37.16 -41.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -63.04 -44.1 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.87 -51.69 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 142' ' ' ALA . 24.8 mm-40 -35.95 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 142' ' ' ALA . 45.1 m-80 -96.97 -58.61 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.41 -27.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 97' ' ' ILE . 38.2 mt -61.86 -66.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 -49.66 65.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 80.2 mmm -41.43 -40.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.64 -30.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -39.7 126.93 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 68.89 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 153' ' ' SER . 56.5 t80 -92.76 148.1 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.53 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 15.7 t -77.39 120.54 22.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -149.79 119.65 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 49.75 26.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 92.62 -24.38 23.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -90.14 151.49 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -93.39 99.01 11.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 75.8 mt -55.81 121.09 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 96.7 mt -96.0 102.56 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 21.1 t -95.39 123.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -134.93 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 49.3 tp -94.85 162.65 13.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.618 ' HG2' HD21 ' A' ' 98' ' ' LEU . 76.8 mt-30 -109.46 142.45 25.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.715 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 166' ' ' THR . 11.9 m -127.97 39.68 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.29 -57.51 7.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -135.15 145.87 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 170' ' ' LEU . 7.4 tt -79.23 114.8 18.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 169' ' ' LEU . 6.7 mp -41.93 128.95 3.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 t -137.89 111.92 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.3 t -75.13 -59.63 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 73.66 82.39 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 171.82 13.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.9 t -122.13 44.34 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.0 t -151.92 122.18 7.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -98.82 117.19 32.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -50.36 -54.41 21.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.08 -105.6 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -155.33 132.74 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.8 p -106.2 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.14 146.04 12.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.4 pt -146.11 152.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.6 mt -104.61 125.47 50.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.753 ' CG1' HD21 ' A' ' 102' ' ' LEU . 15.6 t -103.4 86.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -94.8 163.97 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.581 ' HB2' HD13 ' A' ' 160' ' ' ILE . 13.9 t-20 74.32 37.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.753 HD21 ' CG1' ' A' ' 99' ' ' VAL . 59.9 mt -81.61 149.42 64.37 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -95.24 -16.32 22.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.19 31.45 6.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.546 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.9 t -73.89 152.57 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.83 162.33 32.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.09 -40.85 97.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -51.26 -34.13 31.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.45 -53.3 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -54.31 -54.49 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -39.66 -52.45 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -57.48 -47.17 82.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.6 tp -52.55 -45.77 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.84 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -2.31 10.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.67 -28.88 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 145' ' ' ALA . 14.3 m-85 -104.98 154.27 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.04 128.03 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.18 117.51 34.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -91.08 -45.0 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -151.44 135.27 16.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.42 124.87 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.22 105.99 9.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.64 132.26 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -118.64 93.29 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -27.64 69.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -56.94 -51.49 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -107.12 5.36 27.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 54.58 49.65 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 92.6 m -137.83 124.41 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -115.8 130.61 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -98.69 112.54 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.46 115.04 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 87.9 m -96.02 115.82 28.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' A' ' 142' ' ' ALA . 23.2 mt -89.28 -179.17 5.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.14 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -105.61 161.28 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.96 -37.58 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -58.47 -40.56 83.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.711 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.62 -53.45 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 142' ' ' ALA . 34.3 mm-40 -37.03 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 142' ' ' ALA . 42.1 m-80 -97.48 -50.5 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . . . -46.56 -22.73 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 150' ' ' HIS . 65.7 mt -80.7 -72.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -51.97 -28.66 17.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 23.6 mmm -68.72 -42.92 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -114.29 26.43 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 146' ' ' ILE . 10.0 t60 -79.76 118.98 22.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 64.96 45.41 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 153' ' ' SER . 17.9 t80 -84.13 153.23 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.423 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 40.9 t -78.78 112.85 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -132.76 105.5 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 52.57 33.04 12.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 93.87 -22.89 33.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . 0.641 ' O ' HD12 ' A' ' 160' ' ' ILE . 22.8 m-20 -87.69 75.75 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' ASP . 90.6 mt -35.32 120.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 158' ' ' ASP . 3.8 mp -98.98 100.4 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.94 126.63 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -137.37 -179.2 5.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.37 164.38 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -85.77 155.76 58.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.698 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 95.03 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 28.1 m -136.14 126.49 26.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.78 -56.36 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . 48.31 47.0 20.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.74 129.76 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 25.2 mt -84.38 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 172' ' ' SER . 30.8 p -89.5 106.41 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 171' ' ' CYS . 6.7 t -36.25 -50.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 154.0 178.65 28.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.39 64.73 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 30.4 t -41.52 -50.49 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.6 m -89.33 169.65 11.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.7 m -96.31 117.67 31.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.2 t -63.22 127.79 32.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.1 64.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.7 p -93.48 89.39 6.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 p -92.85 131.91 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.84 121.38 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 146' ' ' ILE . 21.1 pt -123.61 158.7 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.6 mt -109.78 133.39 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.658 ' CG1' HD21 ' A' ' 102' ' ' LEU . 22.4 t -104.96 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -103.71 159.93 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.817 ' HB2' HD12 ' A' ' 160' ' ' ILE . 35.2 t30 73.09 46.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 ' CG1' ' A' ' 99' ' ' VAL . 52.8 mt -89.48 156.23 48.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.96 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -88.78 -9.83 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 30.34 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.515 ' OG ' HD22 ' A' ' 102' ' ' LEU . 5.2 t -68.55 142.98 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -157.69 163.61 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.8 m -56.92 -60.51 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 108' ' ' CYS . 62.4 tt0 -34.41 -43.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.63 -47.04 80.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 108' ' ' CYS . 80.5 t -72.05 -57.94 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 3.1 t-160 -36.15 -63.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.42 -48.35 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 tp -50.83 -43.61 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.652 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 38.5 mt -95.17 41.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -65.4 -32.94 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 13.4 m-85 -90.99 163.61 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.73 131.32 36.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 112' ' ' HIS . 7.3 mp -102.51 128.05 49.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 121' ' ' LYS . 1.3 mptp? -97.16 -34.21 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -159.51 138.17 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.3 t -131.46 110.05 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -117.99 113.07 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.426 HG23 ' SG ' ' A' ' 108' ' ' CYS . 95.7 t -98.64 129.61 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -118.57 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.7 mtt85 -59.92 -30.11 68.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.88 -33.49 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 130' ' ' ARG . 24.0 mttm -119.54 14.65 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 129' ' ' LYS . 33.6 mmt180 37.51 51.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.1 m -143.77 140.71 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.1 131.19 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -96.95 122.72 40.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.72 124.24 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.7 m -101.33 99.84 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.93 177.89 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.28 -64.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -117.32 170.58 8.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -74.33 -50.49 9.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.24 -47.75 84.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' GLN . . . -62.62 -49.93 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 142' ' ' ALA . 32.4 mm-40 -37.12 -43.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -89.07 -51.28 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -47.07 -20.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 161' ' ' VAL . 22.4 mt -83.47 -57.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.0 mmt -75.31 -56.57 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -66.74 -50.11 63.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 149' ' ' PHE . 13.8 t60 -34.1 131.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.432 ' HG2' ' CG ' ' A' ' 150' ' ' HIS . 8.6 mm100 69.44 37.81 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.4 t80 -94.0 144.8 25.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.405 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 24.6 t -76.58 106.45 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -134.28 104.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 57.58 27.37 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.1 -19.23 43.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -91.12 136.48 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -87.42 89.93 8.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 102' ' ' LEU . 90.2 mt -47.39 133.03 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 101' ' ' ASN . 55.7 mt -106.04 103.97 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 146' ' ' ILE . 21.9 t -98.77 124.11 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.54 158.78 43.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 15.8 tp -84.28 138.16 33.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -44.31 155.17 0.37 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.48 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.0 m -164.83 108.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -61.38 119.3 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -124.45 78.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 169' ' ' LEU . 2.7 pt? -171.19 143.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.3 147.77 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 39.4 t -72.06 -45.68 59.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 5.5 m -120.71 100.67 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -167.11 -93.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.41 50.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.6 m -132.1 -59.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 81.0 p 43.05 42.33 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.2 p -73.93 -54.68 7.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.833 0.349 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 t -53.85 122.76 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.8 125.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 m -86.77 85.59 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 99.5 p -89.57 122.25 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.2 148.68 4.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -143.0 157.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.87 125.69 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -97.19 97.45 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -104.9 159.17 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.8 t30 74.82 46.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.658 HD21 HG11 ' A' ' 99' ' ' VAL . 48.7 mt -86.39 156.28 56.73 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -89.85 -30.1 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.06 36.57 3.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.523 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.1 t -69.51 149.73 47.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -155.4 169.5 24.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' GLN . 52.7 t -73.64 -61.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 26.9 mt-30 -34.43 -47.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.02 -50.15 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' CYS . 88.2 t -61.62 -44.68 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -42.63 -62.52 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.63 -45.97 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.18 -45.38 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 mt -95.37 36.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.2 ptpp? -59.24 -44.51 92.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 6.2 m-20 -47.66 -45.17 27.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -93.27 144.91 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.08 123.63 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.67 135.07 34.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -107.95 -39.65 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -151.64 130.23 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.41 129.04 44.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -129.47 113.76 15.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.41 126.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.56 90.9 3.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.44 -29.86 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -56.9 -44.3 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -112.19 14.27 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 42.21 53.45 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.7 m -140.49 141.25 35.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.12 120.09 30.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.35 115.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.07 128.47 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.5 m -105.97 102.07 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 142' ' ' ALA . 54.0 mt -75.13 175.08 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -114.75 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.87 -52.34 20.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -39.84 -43.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -56.72 -43.64 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.757 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.53 -51.52 49.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 146' ' ' ILE . 53.9 mm-40 -34.99 -36.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.5 m-80 -90.63 -60.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.52 -35.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 143' ' ' GLN . 57.5 mt -50.31 -67.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -68.1 -46.55 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 64.4 mmm -44.37 -41.29 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' A' ' 161' ' ' VAL . 3.3 m-85 -92.84 -35.67 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.513 ' CE1' HE21 ' A' ' 151' ' ' GLN . 29.5 t60 -38.6 125.07 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.513 HE21 ' CE1' ' A' ' 150' ' ' HIS . 29.0 mm-40 68.15 42.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 153' ' ' SER . 47.8 t80 -87.88 164.28 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 40.8 t -91.19 109.16 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -153.11 105.89 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 64.02 36.53 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 60.78 23.93 61.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -116.28 169.49 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -110.03 73.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 152' ' ' TYR . 34.3 mt -40.06 119.45 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 72.7 mt -100.25 104.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 149' ' ' PHE . 12.1 t -95.88 129.38 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -131.94 167.61 19.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.452 ' HB2' HD11 ' A' ' 146' ' ' ILE . 5.9 tp -99.78 147.27 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 17.0 mt-30 -65.02 154.1 87.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.25 37.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 169' ' ' LEU . 45.5 m -76.07 92.39 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.78 -50.46 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -122.43 124.59 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 171' ' ' CYS . 17.9 tp -150.37 139.77 21.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 43.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.453 ' HB2' HD23 ' A' ' 169' ' ' LEU . 4.9 t -71.58 -58.08 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 33.1 p -125.53 155.95 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 139.71 -163.39 26.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -9.54 26.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.7 p -82.93 113.93 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 65.7 m -95.67 120.27 35.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -51.97 131.96 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -153.95 107.23 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.16 151.27 41.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.556 ' O ' HD11 ' A' ' 163' ' ' LEU . 9.3 m -153.98 119.89 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.6 p -85.1 146.8 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.94 142.83 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 pt -138.34 161.73 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.77 130.99 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.832 ' CG1' HD21 ' A' ' 102' ' ' LEU . 19.1 t -104.57 91.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.28 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.619 ' O ' HD23 ' A' ' 159' ' ' LEU . 28.4 t30 71.11 48.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.832 HD21 ' CG1' ' A' ' 99' ' ' VAL . 80.9 mt -82.53 155.36 68.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.8 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.581 ' H ' ' NE2' ' A' ' 104' ' ' GLN . 1.4 pm0 -87.96 -26.05 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.9 p-10 -117.11 39.0 3.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.559 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.2 t -65.0 143.7 57.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 6.3 m-80 -153.0 156.78 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' VAL . 48.5 t -59.0 -62.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' CYS . 28.1 mm-40 -34.99 -42.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.77 -48.17 81.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' CYS . 82.2 t -71.34 -53.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -40.75 -56.99 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -61.97 -46.34 89.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.99 -39.93 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.521 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 22.4 mt -98.66 46.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' CD ' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -69.04 -32.13 71.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -58.64 -42.52 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 15.1 m-85 -95.34 149.04 21.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.53 121.26 25.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mp -94.91 163.48 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -133.52 -44.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -148.67 147.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.15 130.21 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -129.81 102.73 6.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.79 125.44 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.9 t70 -119.23 90.55 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -59.44 -43.01 93.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.17 -43.57 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -109.52 2.22 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 126' ' ' ASP . 50.7 mtm-85 50.99 51.76 16.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 93.5 m -142.17 126.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.0 119.52 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -88.34 117.11 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.1 t -111.04 137.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 m -113.58 102.34 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.827 HD12 ' HB2' ' A' ' 142' ' ' ALA . 76.0 mt -74.02 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -72.07 -50.1 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -136.15 168.15 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -70.58 -53.67 12.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -38.05 -45.49 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.324 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -58.79 -43.73 90.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.827 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.68 -50.6 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 146' ' ' ILE . 33.5 mm-40 -35.19 -40.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -86.31 -58.42 2.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -39.98 -36.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 163' ' ' LEU . 36.7 mt -48.03 -64.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -71.0 -48.67 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 2.8 mtt -47.66 -31.13 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.521 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -105.28 -26.01 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 16.7 t60 -42.01 135.43 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 11.1 pt20 48.37 35.94 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 153' ' ' SER . 8.9 t80 -69.49 156.34 39.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.46 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 1.7 t -76.91 105.86 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 159' ' ' LEU . 22.2 t80 -144.78 105.66 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.423 ' NH2' ' OD2' ' A' ' 105' ' ' ASP . 31.0 mtt-85 56.2 35.78 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 67.15 19.83 70.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -114.45 144.66 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.312 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -91.65 64.9 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 101' ' ' ASN . 79.1 mt -38.93 122.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 78.4 mt -93.14 101.76 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 12.9 t -96.95 130.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -138.66 174.81 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.708 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.1 tp -102.73 147.34 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.411 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 63.9 mt-30 -60.45 143.9 89.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.96 32.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 20.5 m -152.85 122.92 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -103.92 -44.14 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -173.67 175.23 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 15.3 tp -40.28 147.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 17.3 tp -107.07 95.17 5.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 31.3 p -107.77 167.77 9.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.1 t -83.62 169.6 15.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 83.28 79.67 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 2.04 3.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 7.8 t 71.18 42.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.1 t -52.49 -50.18 63.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.0 p -107.41 103.41 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -99.7 170.82 8.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.39 -121.28 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 p -116.81 131.16 57.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.8 p -173.94 171.48 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.58 160.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.533 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 28.1 pt -142.09 158.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.601 HD11 ' HD3' ' A' ' 165' ' ' PRO . 39.7 mt -106.69 125.31 50.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 99' ' ' VAL . 34.5 t -97.4 87.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -96.19 163.25 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 72.59 42.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.642 HD22 ' OG ' ' A' ' 106' ' ' SER . 40.9 mt -87.78 157.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -81.65 -35.8 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.489 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 14.6 t70 -104.16 32.92 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.642 ' OG ' HD22 ' A' ' 102' ' ' LEU . 3.3 t -66.24 152.1 45.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 4.3 m-80 -158.22 166.33 32.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.591 ' N ' HG21 ' A' ' 125' ' ' VAL . 10.4 t -62.82 -60.12 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 39.6 tp60 -34.78 -40.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.63 -48.65 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' CYS . 98.6 t -68.11 -53.47 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.2 t-160 -39.43 -61.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.5 -39.96 71.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.64 -45.15 95.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.646 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 37.4 mt -101.87 39.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -62.34 -48.14 81.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -39.39 -47.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -87.82 154.54 20.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.64 129.48 34.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 115' ' ' LEU . 8.3 mp -107.0 117.69 34.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -89.72 -48.17 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -147.29 146.93 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -140.75 129.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -124.07 102.68 7.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.591 HG21 ' N ' ' A' ' 108' ' ' CYS . 91.9 t -88.6 125.63 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -119.41 90.01 3.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -51.44 -46.7 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -47.7 -45.28 28.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 130' ' ' ARG . 21.3 mmtp -103.98 15.06 29.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER 33.62 54.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.9 m -146.44 141.74 27.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.02 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.67 113.89 26.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.4 t -106.58 134.1 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.3 m -109.25 104.78 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 142' ' ' ALA . 74.3 mt -82.01 177.85 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.47 -51.44 43.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -140.03 178.57 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.01 -53.63 5.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' GLY . 18.3 mt-10 -36.13 -38.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -68.68 -46.14 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.582 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.36 -52.48 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ALA . 20.4 mm-40 -34.98 -32.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 142' ' ' ALA . 3.8 m-80 -92.4 -62.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -37.01 -38.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.466 ' HA ' ' CG1' ' A' ' 161' ' ' VAL . 47.5 mt -50.36 -65.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.24 -54.0 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 14.5 mtt -42.66 -38.8 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.646 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 6.0 m-85 -95.86 -26.99 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 151' ' ' GLN . 15.5 t60 -45.16 126.85 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.555 ' HG2' ' CE1' ' A' ' 150' ' ' HIS . 6.9 mm100 66.93 43.05 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.487 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.9 t80 -86.72 160.54 18.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.487 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.7 t -86.95 109.94 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -151.93 112.31 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 54.8 42.7 30.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 57.19 26.03 55.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -122.89 157.32 32.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -104.71 79.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 102' ' ' LEU . 92.1 mt -46.32 125.41 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 88.4 mt -103.33 111.01 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 146' ' ' ILE . 10.4 t -99.32 129.07 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -135.03 176.66 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.8 mt -81.36 164.42 22.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.43 148.12 73.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.601 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 2.12 3.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 165' ' ' PRO . 34.9 m -34.09 -53.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -144.0 133.37 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -115.34 108.17 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.483 HD12 ' C ' ' A' ' 169' ' ' LEU . 4.6 pp -78.46 171.7 14.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.5 mt -101.87 116.73 33.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.32 121.53 45.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 72.1 m -57.3 -58.93 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.57 4.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.2 22.99 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 19.3 m -44.75 158.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 13.6 t -162.92 156.77 20.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 t -123.0 114.16 20.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 m -92.52 154.38 18.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.38 83.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 95' ' ' SER . 21.7 m -129.29 82.05 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' SER . 74.2 p 35.56 44.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . -161.87 140.12 6.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.0 pt -125.87 160.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.178 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' NE2' ' A' ' 164' ' ' GLN . 95.2 mt -106.06 134.5 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.666 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 15.6 t -101.64 93.84 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -107.72 161.3 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.634 ' HB2' HD12 ' A' ' 160' ' ' ILE . 22.0 t30 71.8 43.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.617 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -84.0 156.36 63.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.9 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.361 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.1 pm0 -87.56 -29.87 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 87.9 m-20 -108.81 32.47 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.617 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.3 t -63.7 147.18 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 37.2 m-80 -160.54 162.73 33.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.461 ' N ' HG21 ' A' ' 125' ' ' VAL . 47.9 t -60.93 -56.77 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -38.4 -39.18 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -68.15 -48.08 66.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -66.27 -54.25 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -39.52 -60.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -56.41 -38.83 72.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.54 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 149' ' ' PHE . 78.1 mt -91.27 45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER -66.29 -36.55 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 116' ' ' LYS . 22.7 m-20 -52.81 -44.98 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.95 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 4.9 m-85 -94.98 160.15 14.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.22 108.11 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.94 122.31 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -89.46 -34.85 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -160.92 139.7 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -132.77 129.51 38.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -133.52 103.2 5.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.9 t -88.38 130.12 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -114.76 114.81 26.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER -83.96 23.03 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.418 ' HA ' ' NH2' ' A' ' 127' ' ' ARG . 31.4 t30 -98.69 -54.06 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -117.02 10.63 14.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.9 mtm-85 62.6 43.04 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.9 m -123.32 133.83 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.666 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -124.05 125.4 44.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.32 117.35 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.21 129.88 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 90.6 m -108.68 116.36 31.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.894 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.8 mt -85.96 177.62 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.9 -58.15 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.55 152.25 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.71 -51.87 54.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -45.23 -44.79 11.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.356 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -53.7 -40.78 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.894 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.19 -54.08 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 146' ' ' ILE . 79.5 mm-40 -35.46 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -85.44 -60.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.95 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.36 -45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 163' ' ' LEU . 47.0 mt -42.77 -63.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -68.93 -57.36 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.7 mmt -41.24 -33.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 152' ' ' TYR . 11.7 m-85 -104.28 -22.43 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 146' ' ' ILE . 13.4 t60 -42.99 148.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 151' ' ' GLN . 0.0 OUTLIER 32.74 42.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.557 ' CE2' ' O ' ' A' ' 153' ' ' SER . 10.5 t80 -76.59 161.51 28.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.557 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 9.3 t -77.32 106.04 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.485 ' CG ' HD11 ' A' ' 159' ' ' LEU . 64.6 t80 -148.97 122.67 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 46.82 45.73 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 54.41 27.22 40.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -126.88 173.35 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 77.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.485 HD11 ' CG ' ' A' ' 154' ' ' PHE . 56.2 mt -44.19 129.62 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 101' ' ' ASN . 83.6 mt -101.0 113.56 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 146' ' ' ILE . 21.3 t -102.26 130.03 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -134.38 179.0 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 146' ' ' ILE . 3.8 mm? -81.06 166.8 20.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.527 ' NE2' HD23 ' A' ' 98' ' ' LEU . 15.8 mm-40 -101.05 138.25 19.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.19 63.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.5 m -73.53 136.13 44.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.7 161.12 24.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -135.19 146.64 48.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 3.8 tt -109.08 79.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.26 109.31 20.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 82.6 m -122.97 142.68 50.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 76.6 p -87.79 -52.59 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -101.79 146.16 17.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 108.52 2.09 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.0 m -83.25 108.32 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 80.0 p -136.3 124.96 23.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.1 t -162.37 168.99 21.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 t -96.81 106.59 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.85 -162.63 19.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 p -101.81 77.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -105.32 170.03 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.47 136.74 8.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 pt -135.16 154.82 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.54 128.79 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.564 HG11 HD21 ' A' ' 102' ' ' LEU . 18.1 t -99.81 96.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -105.06 160.67 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.9 t30 72.34 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.766 HD22 ' OG ' ' A' ' 106' ' ' SER . 58.0 mt -90.33 155.84 46.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -163.32 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -86.41 -35.44 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.0 m-20 -107.29 36.05 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.766 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.7 t -68.74 138.95 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 5.7 m-80 -154.63 168.46 26.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.8 m -66.94 -55.3 15.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.2 mm-40 -34.23 -36.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' CYS . 5.8 tp10 -81.44 -57.19 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.5 t -47.9 -48.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.704 ' CD2' HD22 ' A' ' 120' ' ' LEU . 11.4 t-80 -44.13 -63.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -50.07 -44.12 51.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 63.2 tp -57.49 -47.36 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.612 ' O ' HD11 ' A' ' 120' ' ' LEU . 29.4 mt -98.52 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 17.8 ptmt -66.48 -46.41 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 9.4 m-20 -44.58 -46.0 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 20.3 m-85 -86.71 163.61 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -89.74 126.43 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 112' ' ' HIS . 6.9 mp -100.13 127.83 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.609 ' HD3' HG22 ' A' ' 135' ' ' THR . 6.5 mtpm? -102.14 -47.86 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -148.28 140.16 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.11 128.42 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -130.61 105.46 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' SG ' ' A' ' 108' ' ' CYS . 94.9 t -83.75 128.14 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.15 97.2 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 9.1 mmp_? -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -45.69 -43.64 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -112.61 14.1 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 39.57 54.79 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 84.9 m -144.88 140.0 28.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -122.91 123.28 40.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.67 118.1 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.55 127.97 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.609 HG22 ' HD3' ' A' ' 121' ' ' LYS . 92.9 m -104.09 117.58 34.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 142' ' ' ALA . 98.2 mt -88.72 173.63 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.459 ' HB3' ' NE2' ' A' ' 141' ' ' GLN . 45.0 tp -69.45 -68.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -115.31 164.38 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -64.6 -56.81 14.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 139' ' ' GLY . 15.9 tt0 -34.87 -49.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.459 ' NE2' ' HB3' ' A' ' 137' ' ' LEU . 9.8 mt-30 -51.61 -47.16 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -67.69 -52.12 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 142' ' ' ALA . 1.8 mp0 -34.79 -40.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 146' ' ' ILE . 13.8 m-80 -89.41 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -41.24 -26.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 144' ' ' ASN . 56.9 mt -61.81 -72.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.31 -41.5 89.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 148' ' ' MET . 0.9 OUTLIER -48.49 -41.93 31.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.11 -25.94 15.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -41.27 128.38 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 62.63 47.33 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 153' ' ' SER . 49.9 t80 -93.04 154.83 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.556 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 6.1 t -73.15 117.56 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 159' ' ' LEU . 10.6 t80 -151.98 107.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 51.89 35.04 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.86 -14.42 31.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -94.23 157.14 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.16 90.53 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 154' ' ' PHE . 88.8 mt -46.97 124.19 6.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 33.8 mm -99.69 107.64 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.23 129.0 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -129.45 164.05 24.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 18.9 tp -87.66 156.31 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.483 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 15.2 mm-40 -88.95 141.16 29.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.615 2.21 . . . . 0.0 112.362 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.6 m -55.96 123.17 13.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -114.52 -52.06 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -146.34 136.65 23.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.28 -23.52 65.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.8 114.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.6 m -111.93 79.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 45.9 m -142.97 132.26 23.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 126.91 -158.49 20.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 105.4 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.697 2.264 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 39.8 t -41.07 -62.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 8.6 t -61.43 110.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m 62.31 40.26 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.813 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 m -108.83 124.35 50.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.445 ' HA3' ' NE2' ' A' ' 143' ' ' GLN . . . 68.04 95.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' SER . 13.3 m -54.82 118.59 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.804 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' SER . 90.4 p -38.07 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.36 154.91 29.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.8 pt -151.26 156.19 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.96 HD11 ' HD3' ' A' ' 165' ' ' PRO . 59.1 mt -103.86 126.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.624 ' O ' HG12 ' A' ' 99' ' ' VAL . 12.2 t -102.27 90.35 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.405 ' HB2' HD12 ' A' ' 160' ' ' ILE . 20.6 t30 72.52 51.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.461 HD21 HG11 ' A' ' 99' ' ' VAL . 33.5 mt -90.06 157.69 45.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -163.71 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -90.78 -32.24 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 0.7 OUTLIER -106.23 33.38 3.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.405 ' OG ' HD22 ' A' ' 102' ' ' LEU . 33.4 t -62.89 148.61 46.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 39.5 m-80 -160.73 162.42 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.22 -55.44 28.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -40.73 -41.05 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.4 -47.86 77.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -64.12 -46.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -40.63 -67.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.5 -46.24 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' CD1' ' CE2' ' A' ' 152' ' ' TYR . 51.4 tp -51.72 -48.76 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.844 HD23 ' CE2' ' A' ' 149' ' ' PHE . 40.0 mt -99.42 28.65 4.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -51.23 -45.39 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -44.73 -44.37 9.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 12.6 m-85 -94.52 165.08 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.64 128.51 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.45 122.68 44.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -94.86 -40.61 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -148.31 138.33 22.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 8.0 p -137.52 125.8 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -127.85 98.94 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.97 128.33 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.95 110.86 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -73.69 -44.34 56.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -49.42 -41.61 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -113.45 14.72 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 129' ' ' LYS . 61.5 mtm-85 35.9 54.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.1 m -137.92 137.17 37.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -125.3 118.74 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.69 115.79 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.87 137.4 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.7 m -112.98 101.7 9.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 142' ' ' ALA . 88.1 mt -72.62 -179.22 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 24.0 tp -80.46 -59.48 2.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -117.57 152.12 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.14 -51.62 55.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 36.4 tt0 -42.35 -43.06 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -58.63 -42.15 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.709 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -63.93 -56.43 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 146' ' ' ILE . 2.0 mp0 -35.74 -38.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 140' ' ' GLU . 32.3 m-80 -87.23 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -36.57 -44.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 143' ' ' GLN . 20.4 mt -47.27 -54.89 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 148' ' ' MET . 4.1 tt0 -71.37 -62.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 147' ' ' GLN . 6.9 mmm -38.2 -35.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.844 ' CE2' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -92.66 -39.47 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.3 t60 -38.43 131.29 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.585 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 32.5 mt-30 63.63 42.97 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 153' ' ' SER . 19.5 t80 -89.73 155.42 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.411 ' N ' ' CD1' ' A' ' 152' ' ' TYR . 15.3 t -84.82 110.4 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -149.67 108.12 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 63.98 36.49 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 64.32 18.56 63.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -115.77 173.15 6.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.47 84.07 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.409 HD21 HD23 ' A' ' 102' ' ' LEU . 69.1 mt -48.4 131.86 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.8 mt -107.2 101.23 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.5 t -96.35 124.02 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -138.93 171.62 14.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.9 mt -75.01 166.67 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -83.14 144.42 47.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.96 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.73 -3.33 11.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.345 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 89.6 m -46.53 -50.93 16.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -127.75 124.6 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -96.46 91.07 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 28.0 tp -42.22 142.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 12.6 tp -105.97 135.19 47.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.94 115.66 19.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 40.0 t -133.49 83.73 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 64.41 86.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 152.34 69.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.8 m -130.88 117.78 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 6.6 t -129.13 150.37 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.6 t -71.63 128.54 36.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.2 m -57.14 92.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.36 143.51 4.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 m -134.78 115.4 13.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.4 p -54.68 167.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.61 130.47 6.97 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.437 HD12 ' CG1' ' A' ' 161' ' ' VAL . 39.4 pt -139.26 152.93 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 164' ' ' GLN . 22.8 mt -108.85 133.49 52.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.611 ' O ' HG12 ' A' ' 99' ' ' VAL . 20.7 t -105.77 88.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -89.74 162.61 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.0 t30 72.97 49.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 99' ' ' VAL . 38.6 mt -97.43 157.34 34.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.18 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -94.76 -22.47 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.3 34.72 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -66.85 150.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -156.99 161.68 39.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.21 -50.26 55.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -38.45 -32.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG3' ' CE1' ' A' ' 154' ' ' PHE . 4.1 tp10 -80.55 -51.71 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 112' ' ' HIS . 95.3 t -60.84 -55.04 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 111' ' ' VAL . 15.5 t-80 -34.61 -49.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.22 -48.39 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 111' ' ' VAL . 21.5 tp -50.34 -53.15 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -93.73 30.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -52.98 -44.95 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -51.52 -48.52 62.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 14.1 m-85 -84.55 148.83 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -76.54 142.12 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.77 116.83 30.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -89.65 -35.3 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -158.11 137.41 11.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.9 p -139.87 128.97 23.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.99 111.75 10.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.2 t -98.39 127.96 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.84 89.1 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -55.28 -24.61 29.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' ARG . 51.1 mttt -117.07 17.51 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' LYS . 3.4 mpt_? 33.43 54.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.5 m -149.69 128.13 12.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.8 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.78 117.37 30.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.92 137.88 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.3 m -116.94 101.58 8.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 142' ' ' ALA . 73.4 mt -75.1 -179.35 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.55 -67.54 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -124.25 179.54 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.66 -52.28 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -39.33 -39.84 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.39 -45.28 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.67 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.25 -50.13 64.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' ' 146' ' ' ILE . 17.6 mm-40 -37.22 -33.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 142' ' ' ALA . 47.9 m-80 -92.77 -59.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -40.41 -42.93 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.547 HG22 ' OE1' ' A' ' 147' ' ' GLN . 19.3 mt -44.74 -61.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.547 ' OE1' HG22 ' A' ' 146' ' ' ILE . 3.1 mp0 -71.26 -49.29 44.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 21.8 mmt -50.09 -20.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -122.38 -10.98 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 146' ' ' ILE . 5.6 t60 -51.08 139.05 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 150' ' ' HIS . 9.3 pt20 43.96 51.95 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 153' ' ' SER . 11.0 t80 -86.05 159.04 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.574 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 10.5 t -74.44 107.62 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.617 ' CD1' HD11 ' A' ' 159' ' ' LEU . 22.3 t80 -133.53 102.85 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 47.62 35.14 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.82 -26.23 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -86.18 146.54 26.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -97.92 102.11 13.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 154' ' ' PHE . 23.5 mt -58.25 129.25 41.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.02 104.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 146' ' ' ILE . 2.7 t -94.29 126.42 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -139.94 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.489 HD11 ' NE2' ' A' ' 143' ' ' GLN . 33.8 mt -80.32 156.83 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.403 ' HB3' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -135.25 155.34 78.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 110.937 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 109.93 2.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 167' ' ' ASP . 6.5 t -84.47 -45.7 12.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.523 ' N ' HG23 ' A' ' 166' ' ' THR . 1.5 p30 -63.43 144.17 57.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.93 83.99 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 19.6 tp -134.36 117.49 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.95 -55.61 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 172' ' ' SER . 93.8 m -125.44 118.92 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 171' ' ' CYS . 47.9 t -35.32 126.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -167.32 171.5 42.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 175' ' ' SER . 53.6 Cg_endo -69.8 -29.5 23.56 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 174' ' ' PRO . 80.0 p -35.1 -36.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 174' ' ' PRO . 20.7 t -132.03 99.75 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m -68.71 -54.76 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.8 p -152.47 120.15 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.59 96.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.6 p -88.34 38.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.5 p -65.84 -45.34 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.72 139.58 48.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 39.8 pt -138.01 157.14 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.65 HD11 ' HD3' ' A' ' 165' ' ' PRO . 36.6 mt -105.37 132.93 50.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 99' ' ' VAL . 19.1 t -109.49 88.02 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -94.12 165.49 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 68.84 52.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 106' ' ' SER . 45.1 mt -97.03 156.37 36.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -174.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.25 -31.77 33.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 5.1 t0 -103.57 26.06 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 102' ' ' LEU . 8.7 t -59.29 141.33 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 20.2 m-80 -152.3 165.53 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' GLN . 12.9 t -63.79 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' CYS . 10.6 tt0 -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.62 -53.89 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.4 -49.21 83.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.32 -59.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.39 -41.85 85.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.44 -39.96 77.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.82 40.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 11.6 ptpt -62.39 -48.34 80.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 5.1 m-20 -41.87 -46.64 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 19.3 m-85 -88.3 162.03 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.81 125.8 36.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.22 131.97 44.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 137' ' ' LEU . 1.3 mptp? -103.13 -49.4 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -143.91 136.34 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -132.13 129.14 39.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -132.16 98.02 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.67 126.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 130' ' ' ARG . 4.7 m-20 -119.04 92.32 3.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -60.05 -43.49 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -46.76 -34.32 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -123.1 14.27 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 126' ' ' ASP . 61.1 mtm180 38.59 54.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.6 m -142.68 117.73 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -109.5 125.04 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -92.37 119.64 32.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.45 132.84 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.7 m -110.3 106.79 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.957 HD12 ' HB2' ' A' ' 142' ' ' ALA . 53.0 mt -79.25 176.96 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 121' ' ' LYS . 20.6 tp -67.31 -62.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' CB ' ' OE2' ' A' ' 140' ' ' GLU . 86.0 m-20 -121.24 171.44 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.42 -47.05 11.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 141' ' ' GLN . 24.4 pm0 -47.19 -33.86 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.462 ' N ' ' HG2' ' A' ' 140' ' ' GLU . 5.6 mt-30 -69.9 -41.06 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.21 -49.39 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' ALA . 42.0 mm-40 -35.43 -33.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 142' ' ' ALA . 56.7 m-80 -95.74 -57.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.18 -22.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.59 HD13 HD22 ' A' ' 163' ' ' LEU . 38.8 mt -71.21 -74.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -60.16 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 68.5 mmm -56.14 -51.89 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -87.52 -17.19 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 18.9 t60 -49.25 127.55 15.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 69.8 mt-30 66.0 45.27 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -97.32 149.57 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 25.4 t -74.05 120.85 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -153.75 106.96 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 64.05 27.2 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.4 -29.39 7.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -87.11 163.86 16.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -107.64 102.72 11.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.9 mt -56.07 128.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 28.0 mm -105.94 104.0 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.21 127.62 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -142.04 172.95 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 146' ' ' ILE . 4.3 mm? -75.42 164.67 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -89.69 143.16 29.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.65 ' HD3' HD11 ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 176.86 6.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 34.8 m -159.25 138.41 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.01 46.14 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -115.6 84.97 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 169' ' ' LEU . 0.4 OUTLIER -55.43 -26.38 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -90.81 25.76 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 170' ' ' LEU . 1.9 m -36.61 124.32 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.8 m -93.0 -42.89 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 106.96 -103.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.25 4.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.2 m 61.6 43.24 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 42.1 t -146.82 132.89 19.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 t -90.35 135.97 33.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.0 p -112.95 -46.72 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.58 179.74 41.88 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.0 p -115.24 101.84 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.0 p -84.73 132.69 34.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.18 143.81 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.572 HD12 ' CG1' ' A' ' 161' ' ' VAL . 36.3 pt -144.21 159.89 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.9 mt -106.68 141.9 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 102' ' ' LEU . 24.9 t -112.4 87.32 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -93.9 162.55 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HB2' HD12 ' A' ' 160' ' ' ILE . 28.7 t30 72.53 43.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.646 HD21 HG11 ' A' ' 99' ' ' VAL . 49.1 mt -84.84 156.65 61.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.81 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -89.71 -31.81 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.7 p-10 -108.26 35.33 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 107' ' ' ASN . 28.5 t -63.51 156.29 26.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 48.6 m-80 -161.64 162.37 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 109' ' ' GLN . 44.0 t -70.97 -61.42 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 108' ' ' CYS . 32.5 tp60 -34.32 -40.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.77 -52.62 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 108' ' ' CYS . 86.7 t -61.17 -53.34 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.547 ' HA ' HD22 ' A' ' 120' ' ' LEU . 10.8 t-80 -37.77 -54.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.05 -43.79 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.726 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 29.4 mt -95.89 29.45 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -41.53 40.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -45.55 -51.13 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -94.61 157.3 16.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.09 135.68 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.547 HD22 ' HA ' ' A' ' 112' ' ' HIS . 6.4 mp -108.9 120.52 42.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -88.29 -56.08 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -137.12 139.68 41.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.07 126.78 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -124.25 101.47 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.26 127.06 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' ARG . 9.5 m-20 -120.03 95.85 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -58.59 -42.74 88.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -50.85 -39.66 54.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 130' ' ' ARG . 19.7 mttm -113.59 15.89 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 129' ' ' LYS . 1.6 mpp_? 33.72 55.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.495 ' CA ' HD12 ' A' ' 102' ' ' LEU . 74.0 m -142.28 133.1 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -119.85 126.42 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -93.52 113.3 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.24 123.6 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 98.4 m -101.12 103.02 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.732 HD12 ' HB2' ' A' ' 142' ' ' ALA . 78.1 mt -76.25 172.74 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.7 -59.04 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -117.56 157.92 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.22 65.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -43.24 -46.59 6.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.16 -47.03 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.732 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.05 -49.43 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 142' ' ' ALA . 63.1 mm-40 -34.89 -40.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -91.53 -53.07 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 143' ' ' GLN . 34.4 mt -60.98 -67.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.54 -44.32 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 18.9 mtp -45.62 -42.68 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.726 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 3.1 m-85 -93.48 -33.62 13.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 149' ' ' PHE . 68.5 t60 -36.97 125.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 66.94 40.8 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 153' ' ' SER . 40.7 t80 -84.71 161.95 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 1.7 t -86.38 110.38 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -152.6 114.66 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 52.52 40.52 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.54 24.99 57.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -119.49 166.32 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.28 69.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 84.5 mt -38.04 125.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.457 HD12 ' HB2' ' A' ' 101' ' ' ASN . 26.1 mt -101.38 106.53 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 97' ' ' ILE . 3.8 t -95.92 134.16 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -131.87 172.07 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 7.5 tp -95.67 127.8 42.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.77 140.16 89.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.76 23.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 30.8 m -138.25 131.49 30.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.13 -55.36 25.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.81 113.09 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.24 105.2 14.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -165.33 143.07 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 99.1 m -76.34 155.0 34.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 33.5 m -121.08 -42.96 2.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 140.73 -158.09 26.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -5.29 15.87 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.5 m -63.56 -61.45 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 54.5 p -56.89 115.4 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -90.5 154.64 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 p -122.92 -23.69 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.33 -75.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.0 t 48.42 38.08 10.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 p -91.38 134.54 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.17 149.63 6.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 HG12 ' A' ' 146' ' ' ILE . 23.7 pt -143.73 151.94 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.4 mt -105.95 127.14 52.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.97 ' CG1' HD21 ' A' ' 102' ' ' LEU . 20.6 t -96.63 94.94 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -101.12 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.442 ' HB2' HD12 ' A' ' 160' ' ' ILE . 37.5 t30 69.24 53.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.97 HD21 ' CG1' ' A' ' 99' ' ' VAL . 85.4 mt -91.59 153.69 44.06 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -164.78 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -87.97 -26.49 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -111.99 33.31 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.646 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -70.07 145.33 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -160.08 169.08 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.8 m -59.44 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' CYS . 92.4 mm-40 -34.99 -40.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.95 -53.69 50.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -46.36 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -40.48 -63.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.37 -46.08 62.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -56.05 -45.27 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.45 41.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 10.5 ptmm? -64.13 -43.82 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 25.8 t0 -48.08 -45.62 32.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 7.1 m-85 -90.23 148.31 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.6 127.53 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.03 125.03 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -88.56 -40.8 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.75 134.69 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 35.5 t -130.29 118.74 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.62 118.69 23.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.0 t -95.03 132.38 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -118.98 89.81 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -59.04 -41.47 87.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.79 -42.81 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -112.31 13.05 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 41.59 53.95 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 70.3 m -147.98 132.76 17.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -116.42 128.83 55.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.39 122.38 34.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.58 125.99 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 92.2 m -105.93 101.84 11.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.849 HD12 ' HB2' ' A' ' 142' ' ' ALA . 91.4 mt -70.74 -179.83 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.45 -61.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -121.69 175.56 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 142' ' ' ALA . . . -76.77 -56.98 3.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -37.68 -37.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -66.41 -46.03 77.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.849 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.59 -52.2 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' ALA . 27.8 mm-40 -35.13 -34.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 142' ' ' ALA . 5.4 m-80 -94.55 -54.54 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -44.73 -30.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 97' ' ' ILE . 32.6 mt -60.09 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -64.83 -44.03 91.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 26.2 mtt -49.76 -34.25 18.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -105.86 -18.07 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 151' ' ' GLN . 9.4 t60 -48.49 128.91 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 150' ' ' HIS . 25.0 mt-30 65.2 42.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 153' ' ' SER . 31.5 t80 -92.97 150.29 20.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.42 ' O ' ' CE2' ' A' ' 152' ' ' TYR . 23.2 t -76.58 124.72 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.49 ' CG ' HD11 ' A' ' 159' ' ' LEU . 14.2 t80 -156.08 106.41 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 64.85 26.51 12.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.73 -25.05 14.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -88.99 156.64 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.99 95.9 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 154' ' ' PHE . 52.1 mt -54.47 125.31 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 101' ' ' ASN . 81.9 mt -103.23 106.04 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.68 126.66 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -131.51 174.63 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 164' ' ' GLN . 24.3 tp -93.34 158.67 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.478 ' N ' ' HG ' ' A' ' 163' ' ' LEU . 34.1 mt-30 -84.1 144.11 43.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 166' ' ' THR . 53.6 Cg_endo -69.82 101.47 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 165' ' ' PRO . 0.7 OUTLIER -33.7 117.21 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.92 -58.35 5.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -99.46 147.8 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 169' ' ' LEU . 4.2 mp -86.27 -23.83 26.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 10.5 mt -149.41 162.85 39.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 38.7 t -51.85 101.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.5 p -117.52 124.67 49.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 56.61 83.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.78 68.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 9.6 m -82.62 176.88 9.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 45.3 m -143.28 154.77 44.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 m -94.98 82.51 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.5 p -149.68 164.9 33.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.5 175.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -82.31 47.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.7 p -79.42 161.72 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' HG3' ' A' ' 164' ' ' GLN . . . 106.12 140.36 9.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CG2' ' HB1' ' A' ' 142' ' ' ALA . 40.3 pt -140.29 152.17 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.923 HD11 ' HD3' ' A' ' 165' ' ' PRO . 32.5 mt -103.2 131.68 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 102' ' ' LEU . 20.0 t -102.16 100.18 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -106.83 156.99 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.623 ' HB2' HD12 ' A' ' 160' ' ' ILE . 17.0 t30 74.96 47.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' OG ' ' A' ' 106' ' ' SER . 37.7 mt -88.66 157.33 49.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' CB ' ' HD3' ' A' ' 155' ' ' ARG . 53.7 Cg_endo -69.79 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.94 -37.37 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 4.4 t70 -100.24 31.7 3.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.569 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -68.36 150.96 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 14.0 m-80 -162.64 167.43 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 125' ' ' VAL . 1.7 m -70.81 -58.83 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' CYS . 15.1 mt-30 -33.97 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 108' ' ' CYS . 10.3 tp10 -76.45 -48.77 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 108' ' ' CYS . 97.2 t -63.21 -47.27 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' VAL . 2.1 t-160 -38.39 -60.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -57.93 -42.64 85.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.9 -49.37 73.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 120' ' ' LEU . 31.3 mt -95.3 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 20.9 pttp -68.62 -42.9 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 38.3 m-20 -48.62 -47.94 39.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -89.32 166.62 13.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.13 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 115' ' ' LEU . 7.0 mp -113.49 122.19 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -94.06 -43.12 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 124' ' ' TYR . 76.4 t80 -147.51 135.28 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.8 t -132.79 105.7 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.577 ' HB2' ' CE2' ' A' ' 122' ' ' TYR . 79.5 t80 -117.24 112.5 20.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 108' ' ' CYS . 59.1 t -101.52 139.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.54 137.36 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -29.12 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.02 -33.27 30.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -102.66 -5.4 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 43.31 45.86 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 75.9 m -134.62 139.2 45.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -120.57 118.17 29.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -89.25 117.99 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.93 118.88 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.6 m -97.89 106.88 19.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 142' ' ' ALA . 92.4 mt -77.24 174.71 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 138' ' ' ASN . 54.7 tp -72.14 -58.82 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.434 HD21 ' CD2' ' A' ' 137' ' ' LEU . 8.5 m-80 -118.75 169.0 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.79 -50.48 7.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -44.86 -34.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -63.11 -44.5 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -71.24 -49.12 46.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.742 HE22 HD21 ' A' ' 163' ' ' LEU . 8.3 mm-40 -36.46 -38.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -88.71 -61.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -38.42 -45.15 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.49 ' HA ' HG11 ' A' ' 161' ' ' VAL . 34.3 mt -44.25 -59.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 148' ' ' MET . 5.0 tt0 -69.85 -60.44 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 147' ' ' GLN . 13.8 mmt -38.03 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 150' ' ' HIS . 3.1 m-85 -90.88 -40.03 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -37.54 124.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 66.22 41.72 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.505 ' CG ' ' N ' ' A' ' 153' ' ' SER . 38.4 t80 -90.01 162.43 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 6.9 t -82.8 103.36 12.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.824 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.424 ' CG ' HD11 ' A' ' 159' ' ' LEU . 40.4 t80 -142.54 107.79 4.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.413 ' HD3' ' CB ' ' A' ' 103' ' ' PRO . 23.8 mtp85 55.13 42.75 30.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 55.86 27.29 49.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -118.95 174.93 6.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -115.67 76.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 154' ' ' PHE . 75.1 mt -46.14 125.14 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 101' ' ' ASN . 61.7 mt -103.67 105.98 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.49 HG11 ' HA ' ' A' ' 146' ' ' ILE . 14.3 t -97.44 128.86 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.65 175.13 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.742 HD21 HE22 ' A' ' 143' ' ' GLN . 15.0 mt -81.48 166.92 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.428 ' HG3' ' C ' ' A' ' 96' ' ' GLY . 22.0 mt-30 -79.0 143.51 61.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.923 ' HD3' HD11 ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.75 86.58 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 45.3 m -120.92 98.0 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 167' ' ' ASP . 1.0 OUTLIER -74.7 151.19 39.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -167.67 135.94 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.9 -27.02 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 57.5 mt -117.26 131.7 56.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.7 t -117.43 141.24 48.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.5 p -147.33 162.04 39.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . -102.56 172.72 22.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.23 5.56 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.0 m -74.8 131.05 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 55.1 m -154.69 148.24 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.4 p -125.37 120.57 31.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 m -129.55 174.46 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.41 -121.14 19.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.64 ' O ' HD11 ' A' ' 163' ' ' LEU . 19.4 m 45.92 38.02 4.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -89.73 165.94 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.97 148.67 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 HG13 ' A' ' 161' ' ' VAL . 44.0 pt -142.78 161.5 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.1 mt -108.52 132.96 53.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.845 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 19.1 t -99.28 92.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 72.03 48.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.732 HD22 ' OG ' ' A' ' 106' ' ' SER . 51.0 mt -88.88 156.53 49.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.228 . . . . 0.0 112.36 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -84.93 -28.22 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.1 t70 -114.64 37.97 3.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.732 ' OG ' HD22 ' A' ' 102' ' ' LEU . 2.9 t -69.24 153.92 42.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 106' ' ' SER . 31.5 m-80 -162.22 168.18 22.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.459 ' N ' HG21 ' A' ' 125' ' ' VAL . 20.4 t -63.82 -61.17 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' CYS . 45.0 mm-40 -34.73 -41.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -62.75 -51.51 66.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 112' ' ' HIS . 85.2 t -68.41 -55.43 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' VAL . 44.2 t-80 -35.59 -60.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.86 -42.27 79.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.67 -52.01 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.834 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 27.0 mt -86.49 26.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -49.62 -49.92 45.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -40.94 -47.47 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 145' ' ' ALA . 2.3 m-85 -91.23 146.76 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.51 126.61 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 112' ' ' HIS . 6.8 mp -95.26 130.2 42.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -100.59 -38.32 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -161.0 136.86 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.3 p -131.33 129.0 40.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -127.98 101.48 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 108' ' ' CYS . 87.3 t -86.73 121.09 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.11 89.13 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -54.51 -42.98 71.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -43.41 -45.04 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -112.03 14.99 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 41.11 47.37 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.2 m -133.02 136.16 45.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.845 ' HB3' ' HB ' ' A' ' 99' ' ' VAL . . . -121.58 113.42 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -81.76 106.56 13.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 90.4 t -106.9 132.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 94.7 m -112.28 103.33 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.78 HD12 ' HB2' ' A' ' 142' ' ' ALA . 83.9 mt -74.4 178.68 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.5 tp -71.61 -58.54 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -127.47 177.21 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 140' ' ' GLU . . . -75.81 -54.47 5.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 139' ' ' GLY . 27.3 mm-40 -36.97 -44.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.61 -47.99 82.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.78 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -66.92 -53.03 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 142' ' ' ALA . 9.9 mm-40 -34.98 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 142' ' ' ALA . 41.9 m-80 -95.35 -59.98 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 118' ' ' TYR . . . -38.89 -31.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.57 -58.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.56 -35.43 80.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 27.4 mtp -68.42 -54.76 14.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.834 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 4.6 m-85 -65.65 -48.08 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.531 ' CE1' HE21 ' A' ' 151' ' ' GLN . 36.0 t60 -31.76 127.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.531 HE21 ' CE1' ' A' ' 150' ' ' HIS . 32.7 mm-40 68.22 40.09 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 153' ' ' SER . 35.2 t80 -87.26 160.12 18.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 10.5 t -91.3 103.66 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -145.15 110.74 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 58.34 45.66 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 53.31 28.35 34.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -128.69 155.65 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.52 77.58 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 65.4 mt -44.59 126.48 5.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 37.0 mm -99.85 117.29 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.579 HG13 HD12 ' A' ' 97' ' ' ILE . 20.5 t -106.85 128.64 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -131.4 172.82 11.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.64 HD11 ' O ' ' A' ' 94' ' ' SER . 6.5 tp -104.73 128.91 52.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.55 140.49 65.96 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 48.2 m -117.68 100.09 7.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -69.88 -52.52 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -148.18 130.38 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.8 HD23 ' H ' ' A' ' 169' ' ' LEU . 2.2 pt? -93.72 28.81 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.49 175.56 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 20.8 p -69.25 133.03 47.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.4 t -165.8 139.8 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 159.27 145.95 4.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 36.1 p -131.36 138.57 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 33.3 t -117.64 82.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.1 p -71.48 97.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -56.42 159.89 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.93 73.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.487 ' O ' HD11 ' A' ' 163' ' ' LEU . 79.4 p -69.78 114.64 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.2 p -91.2 161.63 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . . . 112.35 148.9 10.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 pt -139.23 154.16 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.35 131.39 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.57 HG11 HD21 ' A' ' 102' ' ' LEU . 17.9 t -99.57 97.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -108.68 156.55 19.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.0 t30 74.11 48.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.686 HD22 ' OG ' ' A' ' 106' ' ' SER . 46.5 mt -88.51 156.65 50.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -90.05 -31.08 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 56.3 m-20 -108.9 35.15 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.686 ' OG ' HD22 ' A' ' 102' ' ' LEU . 1.3 t -71.11 151.36 44.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 1.7 m-80 -157.92 156.64 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 111' ' ' VAL . 40.8 t -63.52 -58.94 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' CYS . 66.6 mt-30 -34.91 -36.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' CYS . 6.5 tp10 -72.96 -48.41 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' CYS . 89.8 t -63.0 -40.71 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -47.68 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -52.3 -41.65 63.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.46 -53.76 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 149' ' ' PHE . 39.9 mt -88.01 39.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 25.3 pttm -61.82 -45.22 94.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 116' ' ' LYS . 45.9 m-20 -46.23 -46.09 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.436 ' O ' HD12 ' A' ' 120' ' ' LEU . 5.9 m-85 -91.59 143.19 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.78 120.96 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 118' ' ' TYR . 7.0 mp -94.42 128.82 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -96.38 -44.39 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 145.74 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.73 131.28 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -138.5 111.28 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 132' ' ' ALA . 69.9 t -91.99 144.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.44 148.79 38.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -103.96 -24.64 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -74.26 -44.61 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' ARG . 42.6 mttt -112.68 14.53 20.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' LYS . 29.7 mmm180 36.2 51.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 m -129.36 142.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 125' ' ' VAL . . . -122.31 127.75 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -95.03 124.1 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -119.01 135.17 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 91.5 m -109.12 106.17 15.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 142' ' ' ALA . 87.0 mt -77.23 179.0 6.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 46.2 tp -82.74 -62.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -111.76 153.38 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.63 -47.36 77.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.81 -34.92 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.92 -44.95 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 136' ' ' LEU . . . -65.76 -51.1 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 146' ' ' ILE . 66.1 mm-40 -35.02 -41.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -87.97 -56.45 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.92 -27.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.669 HD11 ' HB2' ' A' ' 163' ' ' LEU . 33.1 mt -58.71 -64.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -71.72 -42.63 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 19.5 mmm -47.13 -33.96 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 115' ' ' LEU . 5.7 m-85 -100.85 -41.33 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' PHE . 22.7 t60 -34.74 126.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.74 48.96 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . 0.453 ' CG ' ' N ' ' A' ' 153' ' ' SER . 37.7 t80 -91.63 160.66 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 152' ' ' TYR . 30.8 t -85.52 99.74 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -145.85 114.42 6.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 55.77 41.53 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 58.36 13.13 14.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -108.58 170.67 7.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.78 77.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 102' ' ' LEU . 75.1 mt -44.87 118.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 82.8 mt -94.54 104.16 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.615 HG21 ' CB ' ' A' ' 149' ' ' PHE . 20.3 t -97.06 127.46 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -132.55 175.54 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.669 ' HB2' HD11 ' A' ' 146' ' ' ILE . 6.0 tp -101.7 135.66 42.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.2 143.84 52.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.98 17.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 24.9 m -137.13 128.97 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -99.91 45.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -107.39 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 4.5 tp -170.77 153.09 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 170' ' ' LEU . 4.0 pp -97.16 171.54 8.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 4.5 t -165.47 135.43 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 59.6 p -87.73 -13.21 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . 62.88 84.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.74 36.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.224 . . . . 0.0 112.351 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.0 t -42.38 148.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 24.4 m -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.988 . . . . . . . . 0 0 . 1 stop_ save_